McCullough, Jr. and R.E. One important caveat about G and reactions is that G does not predict the rate of reaction. Phys. These fats can increase levels of HDLs within humans, reducing the chance of heart disease, stroke, and diabetes. Lett. J.Z.H. G6P is converted via glycogen synthase into glycogen for storage. Zhang*, Analysis of the binding modes of the first- and second-generation antiandrogens with respect to F876L mutation, Chem. These organisms use the energy from inorganic chemical reactions (chemoautotrophs, i.e. 120, 1145 (communication) (2004). 9, 2104 (2013). Zhang, Accurate quantum calculation for the benchmark reaction H2 + OH H2O + H in five-dimensional space: Reaction probabilities for J=0, J. Chem. Intermediates of both glycolysis and the TCA cycle both generate major macromolecules required for growth; ribose-5-phosphate for nucleotide synthesis, serine, and glycine to fuel protein synthesis and support nucleotide synthesis, and citrate which is generated to be exported into the cytoplasm providing acetyl CoA for fatty acid synthesis. Phys., 116, 19-20, 2633-2641 (2018). Wang, Y.M. Lett. Zhang, Two-bead polarizable water models combined with a two-bead multipole force field (TMFF) for coarse-grained simulation of proteins, Phys. Here, acetyl CoA readily combines with oxaloacetate to form citrate and begin the TCA cycle. Y. Zhang, J.Z.H. Zhang, State-to-state time-dependent quantum calculation for reaction H2 + OH! Also, acetyl CoA is formed via fatty acid -oxidation and therefore acts as an intermediate molecule for the TCA cycle, fatty acid metabolism, and glycolysis. Google Scholar. 385. 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M.L. Zhang andW.H. Model., 55 ,9: 1903-1913(2015). FAS is the enzyme complex that catalyses the formation of long-chain fatty acids via fatty acid synthesis of palmitate (C16:0). Zhang, and J.Z.H. 117, 7698 (2002). Glycolysis The formation of pyruvate and lactate. Letts. As acetyl CoA can inhibit PDH, an increase in fatty acid uptake into muscle (and heart) causes a build-up of -oxidation-derived acetyl CoA and inhibition of glucose oxidation. Liu, X. Gluconeogenesis is an anabolic process whereby glucose is formed from non-carbohydrate carbon precursors including pyruvate. Marty, M. T. et al. 216. Comput. Wei, A Semiautomated Structure-Based Method to Predict Substrates of Enzymes via Molecular Docking: A Case Study with Candida antarctica Lipase B, J. Chem. D.W. Zhang, P.L. Kouri, A Wave Packet Solution to the Time-Dependent Arrangement Channel Quantum Mechanics Equations, Phys. 122, 184105 (2005). [14] ANGPTL4 disrupts endothelial cell junctions by directly interacting with integrin, VE-cadherin and claudin-5 in a sequential manner to facilitate metastasis. Zhang, and Z. Bacic, A time-dependent calculation for vibrational predissociation of H2HF, J. Chem. Guanfu Duan, Changge Ji*, John Z. H. Zhang*, Developing an effective polarizable bond method for small molecules with application to optimized molecular docking, RSC Adv., 2020, 10, 15530. B, 2011, 116, 1 549-554 (2012). 327. Salomon-Ferrer, R., Gtz, A. W., Poole, D., Le Grand, S. & Walker, R. C. Routine microsecond molecular dynamics simulations with AMBER on GPUs. One of these microorganisms is E. coli. Chem. D.H. Zhang, O.A. If you find something abusive or that does not comply with our terms or guidelines please flag it as inappropriate. Truhlar, Y. 205. Ren, S., Zeng, J., Mei, Y., Zhang, J. Zhang, Perturbative approach to potential surface inversion for bound and halfscattering problems, Spectrochimica Acta Part A, 53 1189 (1997). Deux molcules d'ATP sont produites pour chaque molcule de glucose oxyde par cette voie, au niveau de deux enzymes qui ralisent une phosphorylation au niveau du substrat: la phosphoglycrate kinase et la pyruvate kinase. Phys. Faraday Trans. Zhang, Correction of potential energy surface using inverse perturbation and singular value decomposition, Chem. This can be used to overcome endergonic reactions such as the first reaction in glycolysis: The native reaction, the addition of inorganic phosphate, is endergonic and requires +14 kJ.mol1. A 109, 2 (2005) (Letter). Phys. Chem. Wang, and J.Z.H. Zhang, The investigation of spin orbit effect for the F(2P)+HD reaction, J. Chem. These are defence-related molecules that are derived from methionine and tryptophan in A. thaliana. Zhang*, Computational analysis of hot spots and binding mechanism in the PD-1/PD-L1 interaction, RSC Adv., 9, 1494414956 (2019). Whilst this looks scary, if you input the number of carbons in the fatty acids, then you will get the number of ATP produced when oxidised. 7. D.W. Zhang, X.H. Phys., 139, 214104 (2013). Guldi, M. Isosomppi, N. Tkachenko, H. Lemmetyinen, A. Palkar, L. Echegoyen, X.H. Kunzhong Song; Ju Bao; Yueming Sun; Zhang, J.Z.H., Binding of N-substituted pyrrole derivatives to HIV-1 gp41. Gene modification and genome editing can help manage plant pathogens to ensure plant cell survival in times of attack, these solutions currently include bacterial, viral, fungal, and oomycete pathogens. Wang, L.L. Oxaloacetate can also be formed via an irreversible reaction from aspartate, which is catalysed by aspartate transaminase. Zhang, and Y. Mei, Evaluation of the Coupled Two-Dimensional Main Chain Torsional Potential in Modeling Intrinsically Disordered Proteins, J. Chem. Some of this work was supported by the Mass Spectrometry Core of the Salk Institute with funding from NIH-NCI CCSG: P30CA014195. J.Z.H. Chem. Song, C.G. Han KL, M.L.Wang and J.Z.H. Lett. Song, Jianing; Li, Yongle; Ji, Changge; Zhang, John Z. H., Functional Loop Dynamics of the Streptavidin-Biotin Complex,Sci. Kao, X.L. Truhlar (Springer, New York, 1988), p. 207. This tracer has been useful in the detection and sizing of tumours, as an increase in [18F]FDG-6-phosphate detection compared with the surrounding tissue, is indicative of high glucose uptake and rapidly proliferating cells and possibly cancer. Inf. Chem. 284. Xiao, Y.L. 98, 6276 (1993). Whilst tissues like the heart and muscle lack functional FAS, they still undergo the first steps of the process to generate malonyl CoA. Duan, X. Liu, J.Z.H. Hoffman, T. Peng, and J.Z.H. Model., 2020, 60, 63556365. This response is regulated by jasmonic acid and auxin, both signals that are triggered by wounding. Model.,19 ,4897-4908 (2013). It is produced by Elsevier, which allows a researcher to search the database containing past as well as present articles. 93, 699 (1997). Wang and J.Z.H. Qi, Hydrogen-bond structure dynamics in bulk water: insights from ab initio simulations with coupled cluster theory, Chem. 72, 237 (1987). Mutations in these genes (and others) lead to mitochondrial undergoing higher levels of fission and are less able to fuse, thereby not recycling damaged mtDNA or metabolic enzymes, affecting neuronal health and viability. 243. Chem. Zhang, Computational Alanine Scanning with Interaction Entropy for Protein-Ligand Binding Free Energies, J. Chem. M.M. Zhang, X. Xiangyu Jia, Ye Mei, John Z.H. Krebs work was in collaboration with William A. Johnson at the University of Sheffield. Ces trois groupes phosphate sont dsigns, depuis le ribose en allant vers l'extrieur, par les lettres grecques (alpha), (bta) et (gamma). 132, 1115911164 (2010). Chem. J.Z.H. 242. h) cAMP production curves for M22-mediated WT and lipid-displacing TSHR mutant cell line (A644K, A647K) activation. Bo Wang, Yifei Qi, Ya Gao*, John Z. H. Zhang*, A method for efficient calculation of thermal stability of proteins upon point mutations, Phys. Jingxiao Bao, Xiao He,* and John Z. H. Zhang*, DeepBSPa Machine Learning Method for Accurate Prediction of ProteinLigand Docking Structures, J. Chem. Phys. A major function of lipids is to provide an alternative energy source to carbohydrates by the hydrolysis of ester bonds between TAGs. Google Scholar. Lett. Chih-Hao Chin, T. Zhu, J.Z.H. This reaction is effectively irreversible under physiological conditions; we will discuss this in more detail later. M.L. 120, 839-844 (2004). In the blood, ketones exist in an acidic form and at low concentrations (normally under 0.6 mmol.l-1) are unlikely to cause the body any harm. C.B.B. 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Zhang*, Automatically Constructed Neural Network Potentials for Molecular Dynamics Simulation of Zinc Proteins, Frontiers in Chemistry, 2021, 9, doi: 10.3389/fchem.2021.692200. MotionCor2: anisotropic correction of beam-induced motion for improved cryo-electron microscopy. increased nucleotide formation. Zhang, Accurate quantum-mechanical calculation for O(1D)+DCl reaction, Chem. Huang, Y.F. These are slower, regulated stages and therefore determine the overall rate of the pathway. Soc., 140, 1639-1648 (2018). Chem. D 74, 519530 (2018). Yalong Cong, Yinghui Feng, Hui Ni, Fengdong Zhi, Yulu Miao, Bohuan Fang, Lujia Zhang,* and John Z. H. Zhang*, Anchor-Locker Binding Mechanism of the Coronavirus Spike Protein to Human ACE2: Insights from Computational Analysis, J. Chem. GS-FSC and dFSC curves were generated in cryoSPARC and as previously described in Dang, S. et al. Following glycolysis, 2 pyruvate, 2 ATP, and 2 NADH are formed. 122. 346. Phys., 116, 19-20, 2613-2621 (2018). Accessibility Zhang, High-Lying Rovibrational States of Floppy X3 Triatomics by a New D3h Symmetry Adapted Method: Application of the H+3 Molecule, J. Chem. Sci., 9, 2065-2073 (2018). 232, 370 (1995). Chem. Gao, K.L. 171. Zhang, Computational Alanine Scanning with Interaction Entropy for Protein-Ligand Binding Free Energies, J. Chem. The tissues of the body show differing abilities to utilise various metabolic fuels, and most show flexibility in fuel selection. Acct. Phys.,17,18:12367-12367 (2015). Acetyl CoA is a molecule that lies at the hub of carbohydrate and fatty acid metabolism. Cong, G.Q. Min Li*, WenCai Lu, John Z.H. Thyroid 21, 783792 (2011). Zhang and P. L. Huang, Discovery of small-molecule HIV-1 fusion and integrase inhibitors oleuropein and hydroxytyrosol: Part II. J.Z.H. La production d'ATP dans une cellule d'eucaryote arobie est troitement rgule par allostrie, par rtroaction et par la concentration des substrats des diffrentes enzymes de la glycolyse et de la phosphorylation oxydative. Faraday Trans. N.H. prepared samples for, performed, and analysed native mass spectrometry experiments and prepared control samples for lipid identification experiments. Zhang, Mixed quantum-classical study of energy transfer between H2O and dipeptide, J. Chem. Zhang, D.Y. GAP is oxidised and phosphorylated by NAD+ and Pi to form 1,3-bisphosphoglycerate (1,3-BPG), catalysed by GAP dehydrogenase (GAPDH). [16][17] The ANGPTL4:YWHAG signaling axis confers metabolic flexibility and enhances EMT competency through interaction with specific phosphorylation signals on target proteins. The formed -keto acid can be utilised as a form of energy as ATP molecules. Energy stress could presumably regulate additional substrates of PPP6C through AMPK. WebProprits Physique et chimie. Zhang, Numerical Stabilities in Fitting Atomic Charges to Electric Field and Electrostatic Potential, J. Theo. Phys. Zhang Arrangement transformation approach to state-to-state quantum reactive scattering of H+DH. Soc. He, Automated Fragmentation QM/MM Calculation of NMR Chemical Shifts for Protein-Ligand Complexes, Front. Zhang, Quantum computational study for binding of Oscillarin and two Macrocyclic inhibitors to human alpha thrombin using the MFCC method, Biophys. Zhang, Quantum mechanical studies of residue-specific hydrophobicinteractions in p53-MDM2 binding, J. Phys. China-Chemistry. Kouri, Quantum Mechanical Algebraic Variational Methods for Inelastic and Reactive Molecular Collisions, J. Phys. J.Y. Furthermore, using malonate, an inhibitor of succinate dehydrogenase, in muscle suspension experiments, Krebs found an accumulation of succinate in the presence of citrate isocitrate, -ketoglutarate, fumarate, malate, and oxaloacetate. 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For example, whilst the G for (eqn 3) is very negative, PFK1 is regulated by feedback inhibition and activation. 394, 293-297 (2004). The production of nicotinamide adenine dinucleotide phosphate (NADPH). Sun, J.Z.H. Lee, J. Bao, Y. Mol. Duan, F. Chen, H. Liu, Z. Wang, P.C. Nature 552, 426429 (2017). Y. Gao, T. Zhu, C.M. Phys. Zhang and W.H. Zhang, Time-dependent quantum wave packet study of H+HCNH-2+CN reaction, J. Chem. Wang, J.Z.H. Zhang, Three-dimensional quantum dynamics study of vibrational predissociation of HeI2 van der Waals molecule for low vibrational excitation using the time-dependent wave packet method, Sci. Proteins electronic polarization contributes significantly to its catalytic function, Structure and Dynamics of a Dizinc Metalloprotein: Effect of Charge Transfer and Polarization, Computational Characterization of Binding of Small Molecule Inhibitors to HIV-1 gp41. C'est par exemple le cas de certains gaz de combat conus cet effet, ou de poisons, comme le cyanure, qui bloque la cytochrome c oxydase de la chane respiratoire dans les mitochondries, ou l'arsenic, qui remplace le phosphore et rend inutilisables les molcules phosphores. This pathway runs parallel to glycolysis in the cytosol, as it utilises some similar components of this pathway for its own use. 7. The acyl-carnitine can readily diffuse through pores in the outer mitochondrial membrane into the intermembrane space. Tang, B.H. 210. Zhang, The Reactant-Product Decoupling Approach to State-to-State Dynamics Calculation for Bimolecular Reaction and Unimolecular Fragmentation, Faraday Discussions, No. Many of these effects are brought about by the binding of Ca2+ to proteins altering their structures However, to ensure that these intermediates do not over-supply the TCA cycle, anaplerosis is coupled with the exit of intermediates from the TCA cycle, called cataplerosis (Figure 16). Chu, Y. Zhang, and K.L. Chem. J. Mol. He, A.E. CAS Mol. Therefore, other sources of energy, such as fatty acids and ketone bodies, can be used in various tissue types such as the heart and muscle. Protein Sci. Yi M. Li and J. Yao, Xue X.; Ji, Chang G.; Xie, Dai Q.; Zhang, John Z. H.,Molecular dynamics study of DNA binding by INT-DBD under a polarized force field, J. Comput. Lett., 687, 163-170 (2017). Chem. Phys. Wang, T. Peng, and J.Z.H. The liver can generate the two major ketones, acetoacetate and -hydroxybutyrate, using acetyl Coenzyme A (CoA) from -oxidation in a process known as ketogenesis. Guangfeng Shao, Jingxiao Bao, Xiaolin Pan, Xiao He*, Yifei Qi1* and John Z. H. Zhang*, Computational Analysis of Residue-Specific Binding Free Energies of Androgen Receptor to Ligands, Front. Some studies claimed that increasing these fats can treat some of the listed diseases above. D.H. Zhang, J.Z.H. Phys. The same enzymes are used in peroxisomes as in the mitochondrial matrix, and acetyl-CoA is generated. Lett. Zhang, and D.J. Kouri, and J. Jellinek, Resonance Phenomena in Quantal Reactive Infinite-Order Sudden Calculations, ACS Symposium Series 263, 457 (1984). Calcium on the other hand comes from contraction, which is a highly energy-dependent process, and therefore requires glucose to be fully oxidised. 373. 91, 6080 (1987). M. Li, John Z.H. J.F. Deleting the redundant TSH receptor C-peptide region permits generation of the conformationally intact extracellular domain by insect cells. The encoded protein is a serum hormone directly involved in regulating lipid metabolism. Chem. Min Li*, WenCai Lu, John Z.H. J.Z.H. Consuming large amounts of saturated fat within the diet is associated with an increased risk of heart disease, stroke, and type 2 diabetes. 45. Chen, C.-R., McLachlan, S. M. & Rapoport, B. Zhang, and J.M. 224. 105, 4881 (1996). Glutamate dehydrogenase is predominantly found within the liver and the kidneys, inside mitochondria, for this reaction to occur. Chem. Anyone you share the following link with will be able to read this content: Sorry, a shareable link is not currently available for this article. Biophys. 723, 110 (2019). Therefore, aquatic animals like fish use their gills to excrete over 80% of ammonia directly into surrounding waters. 266, 1935719361 (1991). D.H. Zhang, Q. Wu, and J.Z.H. HF + H, Chem. Letts., 556, 393-397 (2013). 182. Chem. Firstly, both organelles rely on the presence of a highly folded membrane, within a protective outer membrane, which significantly increases surface area for energy generation. Chem. W. Zhu, Jiqiong Dai, and John Z.H. 41, 873884 (2020). 266. Han, J.Z.H. Zhang, Determination of binding affinities of 3-Hydroxy-3-Methylglutaryl Coenzyme A reductase inhibitors from free energy calculation, Chem. 2020, 60, 12451252. D.H. Zhang, O.A. X. Liu, J.F. D.W. Zhang and J.Z.H. M. Li, J.Z.H. Genome analysis data suggest that an ancient cyanobacterium might have provided the ancestor of the chloroplast in eukaryotic cells (for more information on this topic, the recent work of Snchez-Baracaldo et al. Wang, H.L. Zhang, Quantum dynamics study for D2 + OH reaction, J. Phys. Zhang, John Z.H. [28] As a consequence, ANGPTL4 knockout mice have reduced serum triglyceride levels, whereas the opposite is true for mice over-expressing ANGPTL4. M.L. Upon the oxidation of fatty acids, succinyl CoA is formed. Chem. Duan, X.N. Chem. Wang, and J.Z.H. The major hormones involved in defence signalling are salicylic acid, jasmonate, and ethylene. The fate of pyruvate and NADH is dependent on the conditions within the cell. 97. J. Biochem. 292, 46 (1998). Due to this, fats cannot produce glucose at a net rate. g) cAMP production curves for TSH-mediated WT and TSHR mutant cell line (Y385F, Y385A) activation. Phys. D.H. Zhang and J.Z.H. Cataplerosis aims to remove intermediates, thus ensuring that there is no accumulation of anions in the mitochondrial matrix. One example of where this is particularly seen is in one of the key regulatory steps in glycolysis the reaction catalysed by phosphofructokinase 1 (PFK1), shown in (eqn 3). Lett. J. Sheng and J.Z.H. Li, and J.Z.H. Rev. Phys. Chem. Eng. Zhang, D.Y. D.H. Zhang, Q. Wu, and J.Z.H. PubMed Central J. Bao, J.F. X.H. Phys. ADK has a locally unfolded state that becomes depopulated upon binding. Wang, J.Z.H. Zhang, Quantum calculations of reaction probabilities for HO + CO. H +CO2 and bound states of HOCO, J. Chem. 279. Chem. 140, 329 (1987). J.F. For every cycle, the Acyl CoA unit is shortened by two carbon atoms. Y. Liu, Z.Z. Zhang, F. Xia, A theoretical study of the substituent effect on reactions of amines, carbon dioxide and ethylene oxide catalyzed by binary ionic liquids, RSC Adv., 7(81), 51521-51527 (2017). 97, 3149 (1992). Song, J.Z.H. Chem. Zhang, Theoretical model for the dynamics of hydrogen recombination on Si(100)-(21) surface, J. Chem. Chem., 7, 615 (2019). 323. A 105, 2530 (2001). Zhang, Accurate and Efficient Calculation of Protein-Protein Binding Free Energy-Interaction Entropy with Residue Type Specific Dielectric Constants, J. Chem. In Chinese hamster ovary K1 cells dog and human thyrotropin receptors activate both the cyclic AMP and the phosphatidylinositol 4,5-bisphosphate cascades in the presence of thyrotropin and the cyclic AMP cascade in its absence. sharing sensitive information, make sure youre on a federal Acta Crystallogr. 96, 3866 (1992). Zhang, X. Zhang, and Y. Mei, Evaluation of the Coupled Two-Dimensional Main Chain Torsional Potential in Modeling Intrinsically Disordered Proteins, J. Chem. Google Scholar. Chem. Xiao He, Tong Zhu, Xianwei Wang, JInfeng Liu, and John Z. H. Zhang, Fragment quantum mechanical calculation of proteins and its applications Acc. Yang, K.L. La forme biologiquement active de cette enzyme est un ttramre qui existe dans deux conformations possibles, dont l'une seulement peut se lier au fructose-6-phosphate, qui est le second substrat de cette enzyme. shows the conformations of ADK when binding with ATP or AMP. Glycolysis represents the first stage of glucose catabolism in organisms that perform cellular respiration. Soc. D.H. Zhang and J.Z.H. The thyrotropin receptor hinge region is not simply a scaffold for the leucine-rich domain but contributes to ligand binding and signal transduction. Phys. Zhang, Correction of repulsive potential energy surface for photodissociation of H2O in the state, J. Chem. 2021, 61, 31593165. D.H. Zhang and J.Z.H. 95, 6449 (1991). 79. Am. Cholesterol is an extremely important biological molecule that has roles in membrane structure as well as being a precursor for the synthesis of the steroid hormones, the bile acids, and vitamin D.Both dietary cholesterol, and that synthesized de novo, are transported through the circulation in lipoprotein particles. Soc. ANGPTL4 suppresses foam cell formation to reduce atherosclerosis development. In the presence of oxygen and glucose, the mammalian quiescent cell will uptake glucose for respiration. However, true equilibrium is not compatible with life, as there is no longer a flow of energy. Anaerobic respiration therefore only synthesises 2 ATP molecules which, in comparison with the 3032 ATP molecules yielded in aerobic respiration, is far less efficient. B, 119,22: 6493-6501(2015). Soc. 307. C.G. 250. Zhang, L. & Hermans, J. Hydrophilicity of cavities in proteins. Inf. Zhang, New advance in computational chemistry: full quantum mechanical ab initio computation of streptavidin-biotin interaction energy, J. Phys. Zhang, Theoretical model for the dynamics of hydrogen recombination on Si(100)-(21) surface, J. Chem. Chem. Here the glucose molecule will undergo the reactions of glycolysis to form pyruvate and then enter the TCA cycle and the ETC for oxidative phosphorylation to yield 3032 ATP molecules. This step is activated and stimulated by NAD+ and ADP but inhibited by NADH and ATP. 2021, 61, 35293542. Lett. To maintain cellular and whole-body function, living organisms require energy continuously. Zhang, NMR Scalar Coupling Constant Reveals That Intraprotein Hydrogen Bonds Are Dynamically Stabilized by Electronic Polarization, J. Phys. Chu, and W.H. Han, J.Z.H. Zhang, B. Tang, J.Z.H. J. Mod. Many tissues are flexible with how they can derive ATP. 88. Truhlar, J.Z.H. Zhang, C.H. Z. H.; Mei Y., Implementing electrostatic polarization cannot fill the gap between experimental and theoretical measurements for the ultrafast fluorescence decay of Myoglobin, J. Mol. Mol. Zhang, Protonation-dependent base flipping in the catalytic triad of a small RNA, Chem. CoA functions to carry acyl groups and is a carbonyl-activating group carrier, which is essential for many metabolic processes such as fatty acid oxidation and the TCA cycle. Chem., 40, 12701289 (2019). 393. Zhang. 181, 63 (1991). Chem. Within the glycolytic pathway, these rate-limiting steps are coupled with the hydrolysis of ATP or the phosphorylation of ADP. Y. Xiang, D.W. Zhang, John Z.H. Mod.50,136-145(2010). Channel activation is mediated by cycles of regulatory domain phosphorylation, ATP Zhang*, Efficient calculation of excess free energy of pure and mixed alcohol solutions, Chemical Physics Letters, 2020, 749, 137397. In addition to defences such as those described above, plants can also induce changes in their metabolism in response to attacks. Lancet Diabetes Endocrinol. Wang, Y.M. 211. Zhang, Lili Duan*, Investigating effects of bridging water on the binding of neuraminidase-ligands using computational alanine scanning combined with interaction entropy method, Journal of Molecular Liquids, 2021, 336, 116214. Glucagon works via a G-protein coupled receptor, which regulates adenylate cyclase and causes an increase in cyclic AMP. Chem. Zhang, Protein Polarization Is Critical to Stabilizing AF-2 and Helix-2Domains in Ligand Binding to PPARgamma, J. Zhang, D.W. Zhang, J.Z.H. Rev. National Library of Medicine Chem., 6, 150, DOI: 10.3389/fchem.2018.00150 (2018). In this case, the malonyl CoA is used as a CPT1 inhibitor and acts to regulate -oxidation. It is crucial that gluconeogenesis is not just the reverse of glycolysis. The non-oxidative phase shows the generation of ribose-5-phosphate and also glycolysis pathway intermediates. The enzymatic process of glycolysis occurs within the cytosol and can be divided into two definitive stages of energy investment and energy recovery (Figure 9). Song, C.G. S. Lee-Huang, P.L. 10. Y. L. Li, Yong, Y. Mei, D.W. Zhang,D.Q. M. Li, John Z.H. Phys. X.H. He studied this using Methylene Blue, where this transfer of H+ atoms resulted in the reduction of the dye to a colourless form. Zhang, Residue-specific free energy analysis in ligand bindings to JAK2, Mol. I. Probability Density and Flux by E.A. Once here, it is immediately converted back into oxaloacetate and then to PEP by PEP carboxykinase (PEPCK). Lett. Wang, S. Sabu, S.C. Wei, C.M.J. Mutations within the catalytic components of BCKAD, decrease its activity and therefore increase BCAA levels manifesting as MSUD and causing dysfunction of the immune system, skeletal muscle, and central nervous system. Phys. Chem. Phys., 20, 2009-2021 (2018). Zhang, A full-dimensional time-dependent treatment for diatom-diatom reactions: the H2 + OH reaction, J. Chem. 99, 16824 (1995). D.Y. The membrane-proximal N229 residue (of the GlycoB glycosylation motif) is highlighted in red. Li Yongxiu; Zhang J.Z.H; Mei Ye, Molecular Dynamics Simulation of Protein Crystal with Polarized Protein-Specific Force Field. 86. Chem. Zhang, Time-dependent quantum wave packet studies of the F+HCl and F+DCl reactions J. Chem. Kouri, Infinite Order Sudden Approximation treatment of the H + D2. Y.C. *, Molecular mechanism of ligand bindings to Zika virus at SAM site, Chem. 338. Zhang, Full quantum mechanical study of binding of HIV-1 protease drugs, Int. L.P. Auerbach, J.Z.H. 409. Phys., 19(19), 11931-11936 (2017). 59. Z. Bacic and J.Z.H. Zhang, Global Dynamics and Transition State Theories: Comparative Study of Reaction Rate Constants for Gas-Phase Chemical Reactions, J. Comput. Mitochondria are often thought of as the static structure presented in Figure 18, but in reality, they can exist in different forms. 194, 313 (1992). Zhang, Study of SHMT2 Inhibitors and Their Binding Mechanism by Computational Alanine Scanning, J. Chem. Zhang, Time-dependent quantum wavepacket study of the C + CH reactant, J. Chem. Another approach includes engineering resistance to bacterial pathogens by adding TAL effector binding sites to an executor gene. Therefore, generating four molecules of ATP, a net gain of 2 ATP. Zhang, and Z. Bacic, Mode-specific decay widths in vibrational predissociation of D2HF, Chem. Step 5 This reaction is coupled to the phosphorylation of GDP to GTP, making it the only reaction in the TCA cycle to generate a high energy phosphate. Lett. A Coupled Two-Dimensional Main Chain Torsional Potential for Protein Dynamics. 194, 313 (1992). Enzymes allow discrete reactions to occur, which when combined give the same overall effect as combustion, but in a controlled fashion. Q. Wu and J. Z.H. It is essentially the storage form of glucose in animals, fungi, and bacteria. Lactate is transported to the liver where it regenerates glucose (gluconeogenesis), which can then be used by the exercising muscle again. D.W. Zhang, L.Z. (2004), Amylin agonists: a novel approach in the treatment of diabetes, Sitta A., Ribas G., Mescka C., Barschak A., Wajner M. and Vargas C. (2013), Neurological damage in MSUD: the role of oxidative stress, Sonnet D., OLeary M., Gutierrez A., Nguyen S.M., Mateen S., Hsu Y. et al.. (2016), Metformin inhibits branched chain amino acid (BCAA) derived ketoacidosis and promotes metabolic homeostasis in MSUD, Stumpf P., Conn E., Miflin B. and Lea P. (1987), Wang Z., Ohliger M., Larson P., Gordon J., Bok R., Slater J. et al.. (2019), Hyperpolarized 13C MRI: state of the art and future directions, Wilson B., Schisler J. and Willis M. (2010), Sir Hans Adolf Krebs: architect of metabolic cycles, Zhang S., Hulver M., McMillan R., Cline M. and Gilbert E. (2014), The pivotal role of pyruvate dehydrogenase kinases in metabolic flexibility, Zhou S., Lou Y., Tzin V. and Jander G. (2015), Alteration of plant primary metabolism in response to insect herbivory, https://www.ncbi.nlm.nih.gov/books/NBK22475, https://www.ncbi.nlm.nih.gov/books/NBK27982, Medium-chain acyl-CoA dehydrogenase deficiency (MCADD), Fatty acid oxidation disorder (Octanonyl carnitine), Amino acid disorder (lysine, hydroxylysine, and tryptophan), Homocystinuria (pyridoxine unresponsive) (HCU), branched-chain -keto acid dehydrogenase complex, medium-chain acyl-CoA dehydrogenase deficiency, nicotinamide adenine nucleotide (phosphate), peroxisome proliferator-activated receptor . X.H. Phys. Ketones are oxidised in these tissues in a process known as ketolysis, to generate 20 and 22.5 ATP (acetoacetate and -hydroxybutyrate, respectively). Lett. Phys., 143, 18, 184111(2015). Rasmussen, S. G. F. et al. Phys. [2][3][failed verification] Once in the cytosol, the following processes bring fatty acids into the mitochondrial matrix so that beta-oxidation can take place. Chem. Functional Loop Dynamics of the Streptavidin-Biotin Complex. Li L. Duan,Ye Mei,Dawei Zhang, Qing G. Zhang, and John Z. H. Zhang, Folding of a Helix at Room Temperature Is Critically Aided by Electrostatic Polarization of Intraprotein Hydrogen Bonds, influenza Drugs and Their Analogues to 'Open' and 'Closed' Conformations of H5N1 Neuraminidase, D.W. Zhang, L.Z. Phys. Zhang, Noise-free spectrum for time-dependent calculation of eigenenergies, J. Chem. As this molecule accumulates, the 18F radiotracer allows the molecule to be detected using PET, which is overlaid onto an anatomical image generated by computed tomography (CT) or MRI. Yao Liu, Yalong Cong, Chuanxi Zhang, Bohuan Fang, Yue Pan, Qiangzi Li, Chun You, Bei Gao, John Z. H. Zhang, Tong Zhu * and Lujia Zhang*, Engineering the biomimetic cofactors of NMNH for cytochrome P450 BM3 based on binding conformation refinement, RSC Adv., 2021, 11, 12036-12042. Model.,19, 2605-2612(2013). Model.,29, 3647-3657 (2013). Ruiyao Chen, Yulu Miao, Xuan Hao, Bei Gao, Mingzhe Ma, John Z.H. Phys. Wang Xianwei; Li Yongxiu; He Xiao; Chen SD; Zhang, John, JZH, Effect of strong electric field on the conformational integrity on insulin, J. Phys. De cette faon, l'ATP permet de transfrer de l'nergie entre des processus spatialement spars. Interaction energies (35) Binding energy (34) Power (25) Electrical energy (15) Photovoltaics. 316. Phys. Zhang, J. Dai, and W. Zhu, Development of Accurate Quantum Dynamical Methods for Tetraatomic Reactions, (Feature article) J. Phys. L'ATP est galement le substrat de l'adnylate cyclase, qui produit l'AMP cyclique, messager secondaire dclenchant la libration du calcium de ses points de stockage intracellulaires[18]. We have already seen that plants are autotrophic and use chloroplasts to capture the energy from sunlight to fix CO2 and synthesise useful macromolecules. This readily converts into a final product and yields ammonium. Phys. Phys. The process results in the formation of acetyl CoA and acyl CoA molecules from the oxidation, hydration, and cleavage of fatty acyl CoA. Wang, D.H. Zhang, J.Z.H. Theory Comput. He, therefore, deemed a cyclic nature of all of these reactions to lead to succinate. Zhang, An efficient approach for energy calculation of biopolymers, J. Chem. In the U.K. at 6 days of age, a newborn baby will receive a heel prick test (Guthrie test). Zhang*, Analysis of the binding modes of the first- and second-generation antiandrogens with respect to F876L mutation, Chem. This reaction is catalysed by pyruvate dehydrogenase (PDH) and is a crucial convergence point between the TCA cycle and glycolysis, lipid, and amino acid metabolic pathways. Lu, T.S. Y.X. 14, 12571263 (1996). Y.S. B, 113,1605916064(2009). c) Comparison of active TSHR to active 2-adrenoceptor (2AR, PDB:3SN6). Z. H. Zhang, and D. H. Zhang, Full-dimensional Quantum Dynamics Calculation for D2 + CN Reaction, Chem. When blood glucose levels decrease, this inhibitory signal is removed and HSL allows the process of lipolysis to occur. NAG is formed by the addition of glutamate and acetyl CoA occurring under the influence of NAG synthase, which is regulated by the presence of arginine. Zhang; Fei Xia, Combined effect of confinement and affinity of crowded environment on conformation switching of adenylate kinase. Increased glucose means activation of glycolysis and thus increased production of acetyl CoA. Cao, Huali; Wang, Jingxue; He, Liping; Qi, Yifei*; Zhang, John Z.H. 317. Phys. Chem. Li L. Duan,Ye Mei,Dawei Zhang, Qing G. Zhang, and John Z. H. Zhang, Folding of a Helix at Room Temperature Is Critically Aided by Electrostatic Polarization of Intraprotein Hydrogen Bonds, J. This regenerates NAD+ molecules for the continuation of glycolysis and the subsequent formation of 2 ATP molecules. 391. 24. Zhang, Quantum dynamics study of the reaction HD + OH! Zhang, Interaction entropy for computational alanine scanning in proteinprotein binding, WIREs Comput. [11] Monoclonal antibodies targeting the nANGPTL4[12] and cANGPTL4[13] have been developed to distinguish their functions. Sun, J.Z.H. Han, and J.Z.H. This is an open access article published by Portland Press Limited on behalf of the Biochemical Society and distributed under the Creative Commons Attribution License 4.0 (CC BY-NC-ND). Il s'agit presque toujours d'un cation de magnsium Mg2+, qui se lie aux groupes phosphate de l'ATP. Lamotrigine is indicated as adjunctive therapy for the following seizure types in patients 2 years of age: partial seizures, primary generalized tonic-clonic seizures, and generalized seizures due to Lennox-Gastaut syndrome. J. Biochem. Zhang, Time-dependent quantum dynamics study of reactive scattering of the HD plus CN system in the potential averaged 5D model, Chem. Ma, K.L. J.F. 2, 2529-2534 (2000). These electrons are again used to drive ATP formation, which in turn is used by pathways, such as the Calvin cycle to generate carbohydrates. Huang, J. et al. 88, 4549 (1988). These sequential phosphotransfer relays ultimately result in propagation of the phosphoryl groups along collections of ADK molecules. X. Liu, L. Peng, J.Z.H. Yang, John Z.H. Kouri, Y. Ge and John Z.H. Peroxisomal -oxidation also requires enzymes specific to the peroxisome and to very long fatty acids. 17, 339-345 (2004). Lett. D.H. Zhang, J.Z.H. [15] It facilitates decoding of cellular information by catalyzing nucleotide exchange in the intimate sensing zone of metabolic sensors. Chem., 40, 10451056 (2019). Jiali Gao, John Z. H. Zhang, Kendall N Houk, Beyond QM/MM: Fragment quantum mechanical methods Acc. Zhang, Comparison of quantum and mixed quantum-classical SVRT studies for isotopic reactions H(D,T) + CH4 HH(D,T) + CH3, J. Chem. Phys. As reactions can be reversible, if the forward reaction has a positive G, then the reverse reaction will be negative, therefore the reaction could occur in reverse. At rest the heart derives 6070% of its energy demand from fatty acids, highlighting the importance of this fuel source. Here, he found that these tissues contained specific substances that could transfer H+ atoms from several intracellular organic acids. X.S. PubMed This kind of reaction is termed EXERGONIC, or if it releases heat, exothermic. Li, Y.L. This is specifically important as cells within the brain rely almost entirely on glucose for energy and therefore glucose released from liver cells can help supply this. Phys., 2020, 22, 683-691. Min Li*, John Zeng Hui Zhang, Multiscale polarizable coarse-graining water models on cluster-level electrostatic dipoles, Phys. Chem., 33, 1374 (2012). Fatty acids are oxidized by most of the tissues in the body. J. C. Varandas, P. J. S. B. Caridade, J. Zhang, Quantum Wavepacket Approach to Chemical Reaction Dynamics: perspective on Dynamics of the Collinear H + H2 Reaction. Cao, C.G. Microorganisms hold the capacity to produce ethanol via fermentation and due to this, have been identified and studied to produce ethanol in high capacity. The PPARfatty acid complex forms a heterodimer with retinoid X receptor (RXR), which binds to PPAR response elements and leads to the increased expression of CPT1, liver fatty acid binding protein (FABP) and fatty acid -oxidation genes. J. Chem. nMS demonstrates ~1.7kDa increased mass for K1-70glyco and more heterogeneity consistent with N-linked glycosylation. The overall project was supervised by Y.C. & Joseph Klingenstein Fund, the Searle Scholars Program, the Edward Mallinckrodt Jr Foundation, and the Vallee Foundation. How autoantibodies mimic thyrotropin function remains unclear. Nature 552, 426429 (2017). 89, 4454 (1988). Duan, T. Zhu, Y.C. Phys. These E. coli were engineered to express pyruvate decarboxylase and alcohol dehydrogenase II genes of Zymomonas mobilis. This is important to reduce the chances of futile cycles, whereby a tissue synthesises and breaks down a metabolite at the same time, leading to a net loss of energy. W. Zhu, T. Peng and J.H. Li, Y. X.; Gao, Y.; Zhang, X. Q.; Wang, X. Y.; Mou, L. R.; Duan, L. L.; He, X.; Mei, Y.; Zhang, J.Z.H., A coupled two-dimensional main chain torsional potential for protein dynamics: generation andimplementation, J. Mol. Bowman, Inverse perturbation via singular value decomposition: application to correction of potential surface for HCN, J. Chem. The smaller mass and increased homogeneity of the K1-70glyco(N16Q) construct further supports glycosylation at the engineered N16 position. Yao, L.J. Reactions that need catalysis can be controlled by the activity of the enzyme. Zhang, D. H.; Zhang, J. Chem. Yang, K.L. 255, 397 (2000). Fluorescently tagged neuronal mitochondria have been visualised moving from the neuronal body, along the cytoskeleton of the axon and to the synapse where energy demand is high. Lett. These can be created by introducing receptors from other plants with novel recognition specificity, reactivation of genes disabled in NOD-like receptors, and modification of domains in NOD-like receptors that are targeted by pathogens. Chem. K+, Mg2+, and Ca2+, for example in cardiac contraction) and the biosynthesis of complex macromolecules (such as glycogen). Wong, and J.Z.H. B.Y. Zhang, An efficient approach for energy calculation of biopolymers, J. Chem. Smits, G. et al. [19] Reticular dysgenesis is an autosomal recessive form of human combined immunodeficiency. Lett., 684, 239-244 (2017). A.M. is a Chan Zuckerberg Biohub investigator. However, by linking the reactions together, the product of one reaction becomes the substrate for the next. D.W. Zhang, Yi M. Li and J.Z.H. performed and analysed molecular dynamics simulations under the supervision of R.O.D. J. Chem. In the case of erythrocytes, this is highly advantageous as it means that they do not use the oxygen which they carry. Wyatt [J. Chem. The use of the malate-aspartate shuttle however transports one proton from the intermembrane space, into the matrix, reducing the effective ATP production from 2.5 to 2.25. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. B.F. and C.B.B. 155. Elevated blood concentrations of ammonia (hyperammonemia) is toxic to the central nervous system and can manifest as cerebral edema, seizures, and asterixis. D.H. Zhang and J.Z.H. Zhang, The Reactant-Product Decoupling Approach to State-to-State Dynamics Calculation for Bimolecular Reaction and Unimolecular Fragmentation, Faraday Discussions, No. Phys. J. Chem. G.F. Duan, C.G. Kao, X.L. Methods 17, 12141221 (2020). Zhang, Unveiling the gating mechanism of ECF Transporter RibU, Scientific Reports, 3, 3566 (2013). Theory Comput.,9, 1788-1798 (2013). 92, 3202, (1988). Cuiyu Li, Chih-Hao Chin* , Tong Zhu, John Zeng Hui Zhang*, An ab initio/RRKM study of the reaction mechanism and product branching ratios of CH3OH and CH3OH dissociation, Journal of Molecular Structure, 2020, 1217, 128410. Jianing Song, C.G. Internet Explorer). De manire semblable ce qu'on observe pour le NAD+, l'ATP rgnr dans les mitochondries est essentiellement consomm dans le cytoplasme et dans le noyau, o se forme de l'ADP qui doit tre phosphoryl en ATP l'intrieur des mitochondries. Inf. C'est l'hydrolyse des deux liaisons phosphoanhydride liant les groupes phosphate adjacents de l'ATP qui libre l'nergie de cette molcule. Phys. In fact defects in genes regulating fission and fusion (for example PINK1 and Parkin), have been reported in neurological diseases such as Parkinsons disease. D.W. Zhang, M.L. 197. This step is catalysed by the enzyme aminotransferase, which is found within cell cytosols and is abundant in liver cells, along with the kidney, intestines, and the muscle. Chem. The pyruvate molecules are broken down by PDH to 2 acetyl CoA, 2 NADH, and 2 CO2. 262, 519 (1996). 379. Chem. Lett. Tang, H.M. Yin, K.L. Acta Crystallogr. In conclusion, biotechnology has allowed the intervention of defence signalling and regulation, pathogen recognition, effector recognition, and allowed targeting of genes associated with plant pathogenicity. Han, R.Q. [8][9][10] ANGPTL4 contributes to tumor growth and protects cells from anoikis, a form of programmed cell death induced when contact-dependent cells detach from the surrounding tissue matrix. Chem. D.H. Zhang and J.Z.H. WebThe lactose operon (lac operon) is an operon required for the transport and metabolism of lactose in E. coli and many other enteric bacteria.Although glucose is the preferred carbon source for most bacteria, the lac operon allows for the effective digestion of lactose when glucose is not available through the activity of beta-galactosidase. 130. Tong Zhu, Xiao He and John Z.H. Zhang, Y.C. Energy is required for mechanical work (contraction and cellular movement), active transport of ions/substrates (i.e. Monoclonal autoantibodies to the TSH receptor, one with stimulating activity and one with blocking activity, obtained from the same blood sample. Lett., 652, 136-141 (2016). Saturated fats tip the balance between low-density lipoproteins (LDLs) and high-density lipoproteins (HDLs) to favour LDL concentration, which is harmful. Xiaoyu Zhao, Song Luo, Kaifang Huang, Danyang Xiong, John Z. H. Zhang and Lili Duan *, Targeting mechanism for SARS-CoV-2 in silico: interaction and key groups of TMPRSS2 toward four potential drugs, Nanoscale, 2021, 13, 1921819237. 20 ATP + 4.5 ATP + 4 ATP + 3 ATP = 31.5 ATP per glucose, 77.5 ATP (from NADH) + 22.5 ATP (from FADH2) + 8 ATP = 108 ATP. The heart, the most energy-expensive organ in the body, utilises fatty acids for 5070% of its energy. B112, 1696616974(2008). Zhang, , Intra-protein hydrogen bonding is dynamically stabilized by electronic polarization, Global Dynamics and Transition State Theories: Comparative Study of Reaction Rate Constants for Gas-Phase Chemical Reactions, Y. Tong, C.G. 398. B115, 1223012233 (2011). Xin Zhang, Guang-Hui Yang, and Ke-Li Han, M.L. Endocr. It belongs to a highly conserved eukaryotic protein family and its The .gov means its official. J.Z.H. These transporters can move glucose into and out of cells. 114. The direction of the reaction can be governed by many aspects, including the concentration of substrate or products, the energy released or required for the reaction, and in the case of metabolic pathways, the activity of the enzyme. Zhang, Effect of inter-protein polarization on protein-protein binding energy. En solution aqueuse neutre, l'ATP dissous est ionis quatre fois pour former l'anion ATP4, avec une faible proportion d'ions ATP3[10].
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