283 related articles for article (PubMed ID: 30525607)
1. Are the Apo Proteins Suitable for the Rational Discovery of Allosteric Drugs?
An X; Lu S; Song K; Shen Q; Huang M; Yao X; Liu H; Zhang J
J Chem Inf Model; 2019 Jan; 59(1):597-604. PubMed ID: 30525607
[TBL] [Abstract][Full Text] [Related]
2. Cooperativity between the orthosteric and allosteric ligand binding sites of RORĪ³t.
de Vries RMJM; Meijer FA; Doveston RG; Leijten-van de Gevel IA; Brunsveld L
Proc Natl Acad Sci U S A; 2021 Feb; 118(6):. PubMed ID: 33536342
[TBL] [Abstract][Full Text] [Related]
3. Negative allosteric modulators of cannabinoid receptor 2: protein modeling, binding site identification and molecular dynamics simulations in the presence of an orthosteric agonist.
Pandey P; Roy KK; Doerksen RJ
J Biomol Struct Dyn; 2020 Jan; 38(1):32-47. PubMed ID: 30652534
[TBL] [Abstract][Full Text] [Related]
4. Discovery of hidden allosteric sites as novel targets for allosteric drug design.
Lu S; Ji M; Ni D; Zhang J
Drug Discov Today; 2018 Feb; 23(2):359-365. PubMed ID: 29030241
[TBL] [Abstract][Full Text] [Related]
5. Allosteric Methods and Their Applications: Facilitating the Discovery of Allosteric Drugs and the Investigation of Allosteric Mechanisms.
Lu S; Shen Q; Zhang J
Acc Chem Res; 2019 Feb; 52(2):492-500. PubMed ID: 30688063
[TBL] [Abstract][Full Text] [Related]
6. Revealing the Positive Binding Cooperativity Mechanism between the Orthosteric and the Allosteric Antagonists of CCR2 by Metadynamics and Gaussian Accelerated Molecular Dynamics Simulations.
An X; Bai Q; Bing Z; Liu H; Zhang Q; Liu H; Yao X
ACS Chem Neurosci; 2020 Feb; 11(4):628-637. PubMed ID: 31968162
[TBL] [Abstract][Full Text] [Related]
7. Molecular Modeling Study of a Receptor-Orthosteric Ligand-Allosteric Modulator Signaling Complex.
Jiang C; He X; Wang Y; Chen CJ; Othman Y; Hao Y; Yuan J; Xie XQ; Feng Z
ACS Chem Neurosci; 2023 Feb; 14(3):418-434. PubMed ID: 36692197
[TBL] [Abstract][Full Text] [Related]
8. Allosteric Modulator Discovery: From Serendipity to Structure-Based Design.
Lu S; He X; Ni D; Zhang J
J Med Chem; 2019 Jul; 62(14):6405-6421. PubMed ID: 30817889
[TBL] [Abstract][Full Text] [Related]
9. Discovery of Novel Allosteric Modulators Targeting an Extra-Helical Binding Site of GLP-1R Using Structure- and Ligand-Based Virtual Screening.
Zhou Q; Guo W; Dai A; Cai X; Vass M; de Graaf C; Shui W; Zhao S; Yang D; Wang MW
Biomolecules; 2021 Jun; 11(7):. PubMed ID: 34201418
[TBL] [Abstract][Full Text] [Related]
10. Opportunities and Challenges in the Discovery of Allosteric Modulators of GPCRs.
Bartuzi D; Kaczor AA; Matosiuk D
Methods Mol Biol; 2018; 1705():297-319. PubMed ID: 29188568
[TBL] [Abstract][Full Text] [Related]
11. Strategies for the identification of allosteric modulators of G-protein-coupled receptors.
Burford NT; Watson J; Bertekap R; Alt A
Biochem Pharmacol; 2011 Mar; 81(6):691-702. PubMed ID: 21184747
[TBL] [Abstract][Full Text] [Related]
12. Computational Tools for Allosteric Drug Discovery: Site Identification and Focus Library Design.
Huang W; Nussinov R; Zhang J
Methods Mol Biol; 2017; 1529():439-446. PubMed ID: 27914066
[TBL] [Abstract][Full Text] [Related]
13. Annotation of Allosteric Compounds to Enhance Bioactivity Modeling for Class A GPCRs.
Burggraaff L; van Veen A; Lam CC; van Vlijmen HWT; IJzerman AP; van Westen GJP
J Chem Inf Model; 2020 Oct; 60(10):4664-4672. PubMed ID: 32931270
[TBL] [Abstract][Full Text] [Related]
14. Motions of Allosteric and Orthosteric Ligand-Binding Sites in Proteins are Highly Correlated.
Ma X; Meng H; Lai L
J Chem Inf Model; 2016 Sep; 56(9):1725-33. PubMed ID: 27580047
[TBL] [Abstract][Full Text] [Related]
15. Correlation Between Allosteric and Orthosteric Sites.
Zhang W; Xie J; Lai L
Adv Exp Med Biol; 2019; 1163():89-105. PubMed ID: 31707701
[TBL] [Abstract][Full Text] [Related]
16. Harnessing allostery: a novel approach to drug discovery.
Lu S; Li S; Zhang J
Med Res Rev; 2014 Nov; 34(6):1242-85. PubMed ID: 24827416
[TBL] [Abstract][Full Text] [Related]
17. Computational Advances for the Development of Allosteric Modulators and Bitopic Ligands in G Protein-Coupled Receptors.
Feng Z; Hu G; Ma S; Xie XQ
AAPS J; 2015 Sep; 17(5):1080-95. PubMed ID: 25940084
[TBL] [Abstract][Full Text] [Related]
18. Harnessing the druggability at orthosteric and allosteric sites of PD-1 for small molecule discovery by an integrated in silico pipeline.
Mittal L; Tonk RK; Awasthi A; Asthana S
Comput Biol Chem; 2023 Dec; 107():107965. PubMed ID: 37826990
[TBL] [Abstract][Full Text] [Related]
19. Recent Advances in the Drug Discovery and Development of Dualsteric/ Bitopic Activators of G Protein-Coupled Receptors.
Reinecke BA; Wang H; Zhang Y
Curr Top Med Chem; 2019; 19(26):2378-2392. PubMed ID: 31833462
[TBL] [Abstract][Full Text] [Related]
20. Leveraging allostery to improve G protein-coupled receptor (GPCR)-directed therapeutics: cannabinoid receptor 1 as discovery target.
Janero DR; Thakur GA
Expert Opin Drug Discov; 2016 Dec; 11(12):1223-1237. PubMed ID: 27712124
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
