199 related articles for article (PubMed ID: 29806525)
21. Thieno[2,3-b]pyridines as negative allosteric modulators of metabotropic GluR5 receptors: hit-to-lead optimization.
Nógrádi K; Wágner G; Domány G; Bobok A; Magdó I; Kiss B; Kolok S; Fónagy K; Gyertyán I; Háda V; Kóti J; Gál K; Farkas S; Keserű GM; Greiner I; Szombathelyi Z
Bioorg Med Chem Lett; 2014 Aug; 24(16):3845-9. PubMed ID: 25017030
[TBL] [Abstract][Full Text] [Related]
22. Molecular modelling studies for the discovery of new substituted pyridines derivatives with angiotensin II AT1 receptor antagonists.
Sharma MC
Interdiscip Sci; 2014 Sep; 6(3):197-207. PubMed ID: 25205497
[TBL] [Abstract][Full Text] [Related]
23. Molecular docking, 3D-QSAR, and molecular dynamics simulations of thieno[3,2-b]pyrrole derivatives against anticancer targets of KDM1A/LSD1.
Zhang X; Yan J; Wang H; Wang Y; Wang J; Zhao D
J Biomol Struct Dyn; 2021 Mar; 39(4):1189-1202. PubMed ID: 32036765
[TBL] [Abstract][Full Text] [Related]
24. Integrated In Silico Fragment-Based Drug Design: Case Study with Allosteric Modulators on Metabotropic Glutamate Receptor 5.
Bian Y; Feng Z; Yang P; Xie XQ
AAPS J; 2017 Jul; 19(4):1235-1248. PubMed ID: 28560482
[TBL] [Abstract][Full Text] [Related]
25. A Combined Pharmacophore Modeling, 3D QSAR and Virtual Screening Studies on Imidazopyridines as B-Raf Inhibitors.
Xie H; Chen L; Zhang J; Xie X; Qiu K; Fu J
Int J Mol Sci; 2015 May; 16(6):12307-23. PubMed ID: 26035757
[TBL] [Abstract][Full Text] [Related]
26. Pharmacological characterization and modeling of the binding sites of novel 1,3-bis(pyridinylethynyl)benzenes as metabotropic glutamate receptor 5-selective negative allosteric modulators.
Mølck C; Harpsøe K; Gloriam DE; Clausen RP; Madsen U; Pedersen LØ; Jimenez HN; Nielsen SM; Mathiesen JM; Bräuner-Osborne H
Mol Pharmacol; 2012 Nov; 82(5):929-37. PubMed ID: 22899869
[TBL] [Abstract][Full Text] [Related]
27. Computational investigation of imidazopyridine analogs as protein kinase B (Akt1) allosteric inhibitors by using 3D-QSAR, molecular docking and molecular dynamics simulations.
Gu X; Wang Y; Wang M; Wang J; Li N
J Biomol Struct Dyn; 2021 Jan; 39(1):63-78. PubMed ID: 31838955
[TBL] [Abstract][Full Text] [Related]
28. Discovery of promising FtsZ inhibitors by E-pharmacophore, 3D-QSAR, molecular docking study, and molecular dynamics simulation.
Qiu Y; Zhou L; Hu Y; Bao Y
J Recept Signal Transduct Res; 2019 Apr; 39(2):154-166. PubMed ID: 31355691
[TBL] [Abstract][Full Text] [Related]
29. Pharmacophore modeling, 3D-QSAR and docking study of 2-phenylpyrimidine analogues as selective PDE4B inhibitors.
Tripuraneni NS; Azam MA
J Theor Biol; 2016 Apr; 394():117-126. PubMed ID: 26804643
[TBL] [Abstract][Full Text] [Related]
30. Elucidation of chemosensitization effect of acridones in cancer cell lines: Combined pharmacophore modeling, 3D QSAR, and molecular dynamics studies.
Gade DR; Makkapati A; Yarlagadda RB; Peters GJ; Sastry BS; Rajendra Prasad VVS
Comput Biol Chem; 2018 Jun; 74():63-75. PubMed ID: 29547875
[TBL] [Abstract][Full Text] [Related]
31. Validation of TZD Scaffold as Potential ARIs: Pharmacophore Modeling, Atom-based 3D QSAR and Docking Studies.
Dahiya L; Mahapatra MK; Kaur R; Kumar V; Kumar M
Comb Chem High Throughput Screen; 2017; 20(4):310-320. PubMed ID: 28302016
[TBL] [Abstract][Full Text] [Related]
32. Synthesis and optimization of 4,5,6,7-tetrahydrooxazolo[4,5-c]pyridines as potent and orally-active metabotropic glutamate receptor 5 negative allosteric modulators.
Hirose W; Kato Y; Natsutani I; Takata M; Kitaichi M; Imai S; Hayashi S; Arai Y; Hoshino K; Yoshida K
Bioorg Med Chem Lett; 2017 Sep; 27(18):4331-4335. PubMed ID: 28838696
[TBL] [Abstract][Full Text] [Related]
33. Computer-aided design of negative allosteric modulators of metabotropic glutamate receptor 5 (mGluR5): Comparative molecular field analysis of aryl ether derivatives.
Selvam C; Thilagavathi R; Narasimhan B; Kumar P; Jordan BC; Ranganna K
Bioorg Med Chem Lett; 2016 Feb; 26(4):1140-4. PubMed ID: 26826734
[TBL] [Abstract][Full Text] [Related]
34. Ligand-based pharmacophore modelling and virtual screening for the identification of amyloid-beta diagnostic molecules.
Marondedze EF; Govender KK; Govender PP
J Mol Graph Model; 2020 Dec; 101():107711. PubMed ID: 32898834
[TBL] [Abstract][Full Text] [Related]
35. Insight into the structural requirements of thiophene-3-carbonitriles-based MurF inhibitors by 3D-QSAR, molecular docking and molecular dynamics study.
Azam MA; Jupudi S
J Recept Signal Transduct Res; 2017 Oct; 37(5):522-534. PubMed ID: 28768454
[TBL] [Abstract][Full Text] [Related]
36. Validation of formylchromane derivatives as protein tyrosine phosphatase 1B inhibitors by pharmacophore modeling, atom-based 3D-QSAR and docking studies.
Malla P; Kumar R; Kumar M
Chem Biol Drug Des; 2013 Jul; 82(1):71-80. PubMed ID: 23506477
[TBL] [Abstract][Full Text] [Related]
37. Computational Screening of CCR5 Inhibitors as Potential Entry Inhibitor Microbicides Using 3D-QSAR Studies, Docking and Molecular Dynamics Simulation.
Ramachandran R; Aathi M; Ruban DD; Piramanyagam S
Curr HIV Res; 2017; 15(4):234-244. PubMed ID: 28059045
[TBL] [Abstract][Full Text] [Related]
38. Effect of hydrophobic and hydrogen bonding interactions on the potency of ß-alanine analogs of G-protein coupled glucagon receptor inhibitors.
Venugopal PP; Das BK; Soorya E; Chakraborty D
Proteins; 2020 Feb; 88(2):327-344. PubMed ID: 31443129
[TBL] [Abstract][Full Text] [Related]
39. Identification of novel pyrazole containing ɑ-glucosidase inhibitors: insight into pharmacophore, 3D-QSAR, virtual screening, and molecular dynamics study.
Firdaus JU; Siddiqui N; Alam O; Manaithiya A; Chandra K
J Biomol Struct Dyn; 2023 Nov; 41(19):9398-9423. PubMed ID: 36376021
[TBL] [Abstract][Full Text] [Related]
40. 3D-QSAR, molecular docking, and molecular dynamics simulation of a novel thieno[3,4-d]pyrimidine inhibitor targeting human immunodeficiency virus type 1 reverse transcriptase.
Chu H; He QX; Wang JW; Deng YT; Wang J; Hu Y; Wang YQ; Lin ZH
J Biomol Struct Dyn; 2020 Sep; 38(15):4567-4578. PubMed ID: 31760877
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
