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For: Lu S, Chen Y, Wei J, Zhao M, Ni D, He X, Zhang J. Mechanism of allosteric activation of SIRT6 revealed by the action of rationally designed activators. Acta Pharm Sin B 2021;11:1355-61. [PMID: 34094839 DOI: 10.1016/j.apsb.2020.09.010] [Cited by in Crossref: 40] [Cited by in F6Publishing: 40] [Article Influence: 40.0] [Reference Citation Analysis]
Number Citing Articles
1 Song S, Shao Z. From Myricetin to the Discovery of Novel Natural Human ENPP1 Inhibitors: A Virtual Screening, Molecular Docking, Molecular Dynamics Simulation, and MM/GBSA Study. Molecules 2022;27:6175. [DOI: 10.3390/molecules27196175] [Reference Citation Analysis]
2 Zheng G, Li M, Zhang J, Liu W, Jiang L, Liang W, Wang J, Shi H, Kang Z, Zhou B. A computational study to reveal selpercatinib resistance to RET kinase double mutant V804M/Y806C. Chem Pap . [DOI: 10.1007/s11696-022-02479-4] [Reference Citation Analysis]
3 Wang G, Bai Y, Cui J, Zong Z, Gao Y, Zheng Z. Computer-Aided Drug Design Boosts RAS Inhibitor Discovery. Molecules 2022;27:5710. [PMID: 36080477 DOI: 10.3390/molecules27175710] [Reference Citation Analysis]
4 Zhang H, Chu G, Wang G, Yao M, Lu S, Chen T. Mechanistic Understanding of the Palmitoylation of Go Protein in the Allosteric Regulation of Adhesion Receptor GPR97. Pharmaceutics 2022;14:1856. [PMID: 36145604 DOI: 10.3390/pharmaceutics14091856] [Reference Citation Analysis]
5 Zhang H, Ni D, Fan J, Li M, Zhang J, Hua C, Nussinov R, Lu S. Markov State Models and Molecular Dynamics Simulations Reveal the Conformational Transition of the Intrinsically Disordered Hypervariable Region of K-Ras4B to the Ordered Conformation. J Chem Inf Model 2022. [PMID: 35994329 DOI: 10.1021/acs.jcim.2c00591] [Reference Citation Analysis]
6 Zhuang H, Fan J, Li M, Zhang H, Yang X, Lin L, Lu S, Wang Q, Liu Y. Mechanistic insights into the clinical Y96D mutation with acquired resistance to AMG510 in the KRASG12C. Front Oncol 2022;12:915512. [DOI: 10.3389/fonc.2022.915512] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
7 Zhou S, Yang B, Xu Y, Gu A, Peng J, Fu J. Understanding gilteritinib resistance to FLT3-F691L mutation through an integrated computational strategy. J Mol Model 2022;28:247. [PMID: 35932378 DOI: 10.1007/s00894-022-05254-0] [Reference Citation Analysis]
8 Liu C, Zhang Y, Zhang Y, Liu Z, Mao F, Chai Z. Mechanistic Insights into the Mechanism of Inhibitor Selectivity toward the Dark Kinase STK17B against Its High Homology STK17A. Molecules 2022;27:4655. [DOI: 10.3390/molecules27144655] [Cited by in Crossref: 1] [Article Influence: 1.0] [Reference Citation Analysis]
9 Shi Y, Cao S, Ni D, Fan J, Lu S, Xue M. The Role of Conformational Dynamics and Allostery in the Control of Distinct Efficacies of Agonists to the Glucocorticoid Receptor. Front Mol Biosci 2022;9:933676. [DOI: 10.3389/fmolb.2022.933676] [Reference Citation Analysis]
10 Ji M, Chai Z, Chen J, Li G, Li Q, Li M, Ding Y, Lu S, Ju G, Hou J. Insights into the Allosteric Effect of SENP1 Q597A Mutation on the Hydrolytic Reaction of SUMO1 via an Integrated Computational Study. Molecules 2022;27:4149. [DOI: 10.3390/molecules27134149] [Reference Citation Analysis]
11 Mitgau J, Franke J, Schinner C, Stephan G, Berndt S, Placantonakis DG, Kalwa H, Spindler V, Wilde C, Liebscher I. The N Terminus of Adhesion G Protein–Coupled Receptor GPR126/ADGRG6 as Allosteric Force Integrator. Front Cell Dev Biol 2022;10:873278. [DOI: 10.3389/fcell.2022.873278] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
12 Cong X, Zhang X, Liang X, He X, Tang Y, Zheng X, Lu S, Zhang J, Chen T. Delineating the conformational landscape and intrinsic properties of the angiotensin II type 2 receptor using a computational study. Comput Struct Biotechnol J 2022;20:2268-79. [PMID: 35615027 DOI: 10.1016/j.csbj.2022.05.012] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
13 Liu C, Li Z, Liu Z, Yang S, Wang Q, Chai Z. Understanding the P-Loop Conformation in the Determination of Inhibitor Selectivity Toward the Hepatocellular Carcinoma-Associated Dark Kinase STK17B. Front Mol Biosci 2022;9:901603. [DOI: 10.3389/fmolb.2022.901603] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
14 He X, Du K, Wang Y, Fan J, Li M, Ni D, Lu S, Bian X, Liu Y. Autopromotion of K-Ras4B Feedback Activation Through an SOS-Mediated Long-Range Allosteric Effect. Front Mol Biosci 2022;9:860962. [DOI: 10.3389/fmolb.2022.860962] [Cited by in Crossref: 6] [Cited by in F6Publishing: 7] [Article Influence: 6.0] [Reference Citation Analysis]
15 Wang CX, Wang TT, Zhang KD, Li MY, Shen QC, Lu SY, Zhang J. Pan-KRAS inhibitors suppress proliferation through feedback regulation in pancreatic ductal adenocarcinoma. Acta Pharmacol Sin 2022. [PMID: 35352018 DOI: 10.1038/s41401-022-00897-4] [Cited by in Crossref: 2] [Cited by in F6Publishing: 2] [Article Influence: 2.0] [Reference Citation Analysis]
16 Mozumder S, Bej A, Sengupta J. Ligand-Dependent Modulation of the Dynamics of Intracellular Loops Dictates Functional Selectivity of 5-HT2AR. J Chem Inf Model 2022. [PMID: 35324173 DOI: 10.1021/acs.jcim.2c00118] [Cited by in Crossref: 1] [Cited by in F6Publishing: 2] [Article Influence: 1.0] [Reference Citation Analysis]
17 Zhang H, Zhu M, Li M, Ni D, Wang Y, Deng L, Du K, Lu S, Shi H, Cai C. Mechanistic Insights Into Co-Administration of Allosteric and Orthosteric Drugs to Overcome Drug-Resistance in T315I BCR-ABL1. Front Pharmacol 2022;13:862504. [DOI: 10.3389/fphar.2022.862504] [Cited by in Crossref: 5] [Cited by in F6Publishing: 5] [Article Influence: 5.0] [Reference Citation Analysis]
18 Zhuang H, Fan X, Ji D, Wang Y, Fan J, Li M, Ni D, Lu S, Li X, Chai Z. Elucidation of the conformational dynamics and assembly of Argonaute−RNA complexes by distinct yet coordinated actions of the supplementary microRNA. Computational and Structural Biotechnology Journal 2022. [DOI: 10.1016/j.csbj.2022.03.001] [Cited by in Crossref: 5] [Cited by in F6Publishing: 5] [Article Influence: 5.0] [Reference Citation Analysis]
19 Ni D, Liu Y, Kong R, Yu Z, Lu S, Zhang J. Computational elucidation of allosteric communication in proteins for allosteric drug design. Drug Discovery Today 2022. [DOI: 10.1016/j.drudis.2022.03.012] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
20 Shen D, Liu H, Qian F, Wang P. Design, synthesis and evaluation of novel thienopyridazine derivatives as Chk1/2 inhibitors. Bioorg Chem 2022;121:105704. [PMID: 35240418 DOI: 10.1016/j.bioorg.2022.105704] [Reference Citation Analysis]
21 Zhang Q, Chen Y, Ni D, Huang Z, Wei J, Feng L, Su JC, Wei Y, Ning S, Yang X, Zhao M, Qiu Y, Song K, Yu Z, Xu J, Li X, Lin H, Lu S, Zhang J. Targeting a cryptic allosteric site of SIRT6 with small-molecule inhibitors that inhibit the migration of pancreatic cancer cells. Acta Pharm Sin B 2022;12:876-89. [PMID: 35256952 DOI: 10.1016/j.apsb.2021.06.015] [Cited by in Crossref: 20] [Cited by in F6Publishing: 19] [Article Influence: 20.0] [Reference Citation Analysis]
22 Zha J, Li M, Kong R, Lu S, Zhang J. Explaining and Predicting Allostery with Allosteric Database and Modern Analytical Techniques. Journal of Molecular Biology 2022. [DOI: 10.1016/j.jmb.2022.167481] [Cited by in Crossref: 3] [Cited by in F6Publishing: 3] [Article Influence: 3.0] [Reference Citation Analysis]
23 Liang S, Wang Q, Qi X, Liu Y, Li G, Lu S, Mou L, Chen X. Deciphering the Mechanism of Gilteritinib Overcoming Lorlatinib Resistance to the Double Mutant I1171N/F1174I in Anaplastic Lymphoma Kinase. Front Cell Dev Biol 2021;9:808864. [PMID: 35004700 DOI: 10.3389/fcell.2021.808864] [Cited by in Crossref: 7] [Cited by in F6Publishing: 7] [Article Influence: 7.0] [Reference Citation Analysis]
24 Wang Y, Li M, Liang W, Shi X, Fan J, Kong R, Liu Y, Zhang J, Chen T, Lu S. Delineating the activation mechanism and conformational landscape of a class B G protein-coupled receptor glucagon receptor. Computational and Structural Biotechnology Journal 2022;20:628-39. [DOI: 10.1016/j.csbj.2022.01.015] [Cited by in Crossref: 15] [Cited by in F6Publishing: 16] [Article Influence: 15.0] [Reference Citation Analysis]
25 Ren S, Chen X, Gong H, Wang H, Wu C, Li P, Chen X, Qu J, Tang X. SIRT6 in Vascular Diseases, from Bench to Bedside. Aging and disease 2022;13:1015. [DOI: 10.14336/ad.2021.1204] [Reference Citation Analysis]
26 Fan J, Liu Y, Kong R, Ni D, Yu Z, Lu S, Zhang J. Harnessing Reversed Allosteric Communication: A Novel Strategy for Allosteric Drug Discovery. J Med Chem 2021;64:17728-43. [PMID: 34878270 DOI: 10.1021/acs.jmedchem.1c01695] [Cited by in Crossref: 12] [Cited by in F6Publishing: 8] [Article Influence: 12.0] [Reference Citation Analysis]
27 Li X, Wang C, Peng T, Chai Z, Ni D, Liu Y, Zhang J, Chen T, Lu S. Atomic-scale insights into allosteric inhibition and evolutional rescue mechanism of Streptococcus thermophilus Cas9 by the anti-CRISPR protein AcrIIA6. Comput Struct Biotechnol J 2021;19:6108-24. [PMID: 34900128 DOI: 10.1016/j.csbj.2021.11.010] [Cited by in Crossref: 23] [Cited by in F6Publishing: 23] [Article Influence: 23.0] [Reference Citation Analysis]
28 Cao S, Jiang X, Tan C, Fu M, Xiong W, Ji D, Lv J. How does nintedanib overcome cancer drug-resistant mutation of RET protein-tyrosine kinase: insights from molecular dynamics simulations. J Mol Model 2021;27:337. [PMID: 34725737 DOI: 10.1007/s00894-021-04964-1] [Cited by in Crossref: 3] [Cited by in F6Publishing: 3] [Article Influence: 3.0] [Reference Citation Analysis]
29 Ni D, Chai Z, Wang Y, Li M, Yu Z, Liu Y, Lu S, Zhang J. Along the allostery stream: Recent advances in computational methods for allosteric drug discovery. WIREs Comput Mol Sci. [DOI: 10.1002/wcms.1585] [Cited by in Crossref: 9] [Cited by in F6Publishing: 11] [Article Influence: 9.0] [Reference Citation Analysis]
30 Li X, Qi Z, Ni D, Lu S, Chen L, Chen X. Markov State Models and Molecular Dynamics Simulations Provide Understanding of the Nucleotide-Dependent Dimerization-Based Activation of LRRK2 ROC Domain. Molecules 2021;26:5647. [PMID: 34577121 DOI: 10.3390/molecules26185647] [Cited by in Crossref: 9] [Cited by in F6Publishing: 9] [Article Influence: 9.0] [Reference Citation Analysis]
31 Zheng G, Xu S, Liu W, Du T, Zhang J, Li M, Cai C, Shi H. Deciphering the resistance mechanism of RET kinase mutant against vandetanib and nintedanib using molecular dynamics simulations. Journal of Experimental Nanoscience 2021;16:278-93. [DOI: 10.1080/17458080.2021.1970141] [Cited by in Crossref: 1] [Article Influence: 1.0] [Reference Citation Analysis]
32 Lu S, He X, Yang Z, Chai Z, Zhou S, Wang J, Rehman AU, Ni D, Pu J, Sun J, Zhang J. Activation pathway of a G protein-coupled receptor uncovers conformational intermediates as targets for allosteric drug design. Nat Commun 2021;12:4721. [PMID: 34354057 DOI: 10.1038/s41467-021-25020-9] [Cited by in Crossref: 56] [Cited by in F6Publishing: 58] [Article Influence: 56.0] [Reference Citation Analysis]
33 Rehman AU, Zhen G, Zhong B, Ni D, Li J, Nasir A, Gabr MT, Rafiq H, Wadood A, Lu S, Zhang J, Chen HF. Mechanism of zinc ejection by disulfiram in nonstructural protein 5A. Phys Chem Chem Phys 2021;23:12204-15. [PMID: 34008604 DOI: 10.1039/d0cp06360f] [Cited by in Crossref: 11] [Cited by in F6Publishing: 13] [Article Influence: 11.0] [Reference Citation Analysis]
34 Shao Q, Han Z, Cheng J, Wang Q, Gong W, Li C. Allosteric Mechanism of Human Mitochondrial Phenylalanyl-tRNA Synthetase: An Atomistic MD Simulation and a Mutual Information-Based Network Study. J Phys Chem B 2021;125:7651-61. [PMID: 34242030 DOI: 10.1021/acs.jpcb.1c03228] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
35 Huang Q, Song P, Chen Y, Liu Z, Lai L. Allosteric Type and Pathways Are Governed by the Forces of Protein-Ligand Binding. J Phys Chem Lett 2021;12:5404-12. [PMID: 34080881 DOI: 10.1021/acs.jpclett.1c01253] [Cited by in Crossref: 8] [Cited by in F6Publishing: 10] [Article Influence: 8.0] [Reference Citation Analysis]
36 Riaz M, Rehman AU, Shah SA, Rafiq H, Lu S, Qiu Y, Wadood A. Predicting Multi-Interfacial Binding Mechanisms of NLRP3 and ASC Pyrin Domains in Inflammasome Activation. ACS Chem Neurosci 2021;12:603-12. [PMID: 33504150 DOI: 10.1021/acschemneuro.0c00519] [Cited by in Crossref: 6] [Cited by in F6Publishing: 7] [Article Influence: 6.0] [Reference Citation Analysis]