120 related articles for article (PubMed ID: 29680736)
21. Exploration of Novel Inhibitors for Bruton's Tyrosine Kinase by 3D QSAR Modeling and Molecular Dynamics Simulation.
Bavi R; Kumar R; Choi L; Woo Lee K
PLoS One; 2016; 11(1):e0147190. PubMed ID: 26784025
[TBL] [Abstract][Full Text] [Related]
22. Molecular modeling-driven approach for identification of Janus kinase 1 inhibitors through 3D-QSAR, docking and molecular dynamics simulations.
Itteboina R; Ballu S; Sivan SK; Manga V
J Recept Signal Transduct Res; 2017 Oct; 37(5):453-469. PubMed ID: 28537140
[TBL] [Abstract][Full Text] [Related]
23. A 3D-QSAR Analysis of CDK2 Inhibitors Using FMO Calculations and PLS Regression.
Yoshida T; Hirono S
Chem Pharm Bull (Tokyo); 2019; 67(6):546-555. PubMed ID: 31155560
[TBL] [Abstract][Full Text] [Related]
24. Insight into the interaction mechanism of human SGLT2 with its inhibitors: 3D-QSAR studies, homology modeling, and molecular docking and molecular dynamics simulations.
Dong L; Feng R; Bi J; Shen S; Lu H; Zhang J
J Mol Model; 2018 Mar; 24(4):86. PubMed ID: 29511885
[TBL] [Abstract][Full Text] [Related]
25. Atom and receptor based 3D QSAR models for generating new conformations from pyrazolopyrimidine as IL-2 inducible tyrosine kinase inhibitors.
Ul-Haq Z; Effendi JS; Ashraf S; Bkhaitan MM
J Mol Graph Model; 2017 Jun; 74():379-395. PubMed ID: 28499271
[TBL] [Abstract][Full Text] [Related]
26. Pharmacophore modeling, 3D-QSAR, and docking study of pyrozolo[1,5-a]pyridine/4,4-dimethylpyrazolone analogues as PDE4 selective inhibitors.
Tripuraneni NS; Azam MA
J Mol Model; 2015 Nov; 21(11):289. PubMed ID: 26499496
[TBL] [Abstract][Full Text] [Related]
27. Determination of Structural Requirements of N-Substituted Tetrahydro-β-Carboline Imidazolium Salt Derivatives Using in Silico Approaches for Designing MEK-1 Inhibitors.
Liang J; Wang M; Li X; He X; Cao C; Meng F
Molecules; 2017 Jun; 22(6):. PubMed ID: 28629184
[TBL] [Abstract][Full Text] [Related]
28. Ligand-based and e-pharmacophore modeling, 3D-QSAR and hierarchical virtual screening to identify dual inhibitors of spleen tyrosine kinase (Syk) and janus kinase 3 (JAK3).
Kaur M; Silakari O
J Biomol Struct Dyn; 2017 Nov; 35(14):3043-3060. PubMed ID: 27678281
[TBL] [Abstract][Full Text] [Related]
29. Pharmacophore generation, atom-based 3D-QSAR and molecular dynamics simulation analyses of pyridine-3-carboxamide-6-yl-urea analogues as potential gyrase B inhibitors.
Azam MA; Thathan J
SAR QSAR Environ Res; 2017 Apr; 28(4):275-296. PubMed ID: 28399673
[TBL] [Abstract][Full Text] [Related]
30. In silico exploration of c-KIT inhibitors by pharmaco-informatics methodology: pharmacophore modeling, 3D QSAR, docking studies, and virtual screening.
Chaudhari P; Bari S
Mol Divers; 2016 Feb; 20(1):41-53. PubMed ID: 26416560
[TBL] [Abstract][Full Text] [Related]
31. Free-energy force-field three-dimensional quantitative structure-activity relationship analysis of a set of p38-mitogen activated protein kinase inhibitors.
Romeiro NC; Albuquerque MG; de Alencastro RB; Ravi M; Hopfinger AJ
J Mol Model; 2006 Sep; 12(6):855-68. PubMed ID: 16541250
[TBL] [Abstract][Full Text] [Related]
32. Molecular modeling of pyrrolo-pyrimidine based analogs as potential FGFR1 inhibitors: a scientific approach for therapeutic drugs.
Raza A; Chohan TA; Sarfraz M; Chohan TA; Imran Sajid M; Tiwari RK; Ansari SA; Alkahtani HM; Yasmeen Ansari S; Khurshid U; Saleem H
J Biomol Struct Dyn; 2023; 41(23):14358-14371. PubMed ID: 36898855
[TBL] [Abstract][Full Text] [Related]
33. Studies of N(9)-arenthenyl purines as novel DFG-in and DFG-out dual Src/Abl inhibitors using 3D-QSAR, docking and molecular dynamics simulations.
Ma S; Zeng G; Fang D; Wang J; Wu W; Xie W; Tan S; Zheng K
Mol Biosyst; 2015 Feb; 11(2):394-406. PubMed ID: 25406390
[TBL] [Abstract][Full Text] [Related]
34. 3D-QSAR, molecular dynamics simulations, and molecular docking studies on pyridoaminotropanes and tetrahydroquinazoline as mTOR inhibitors.
Chaube U; Bhatt H
Mol Divers; 2017 Aug; 21(3):741-759. PubMed ID: 28577112
[TBL] [Abstract][Full Text] [Related]
35. Computational insights into the interaction of small molecule inhibitors with HRI kinase domain.
Palrecha S; Lakade D; Kulkarni A; Pal JK; Joshi M
J Biomol Struct Dyn; 2019 Apr; 37(7):1715-1723. PubMed ID: 29663856
[TBL] [Abstract][Full Text] [Related]
36. Molecular Dynamics Guided Receptor Independent 4D QSAR Studies of Substituted Coumarins as Anticancer Agents.
Patil R; Sawant S
Curr Comput Aided Drug Des; 2015; 11(1):39-50. PubMed ID: 26081557
[TBL] [Abstract][Full Text] [Related]
37. In silico drug design of inhibitor of nuclear factor kappa B kinase subunit beta inhibitors from 2-acylamino-3-aminothienopyridines based on quantitative structure-activity relationships and molecular docking.
Wang JL; Li L; Hu MB; Wu B; Fan WX; Peng W; Wei DN; Wu CJ
Comput Biol Chem; 2019 Feb; 78():297-305. PubMed ID: 30605855
[TBL] [Abstract][Full Text] [Related]
38. Combined ligand and structure based approaches for narrowing on the essential physicochemical characteristics for CDK4 inhibition.
Mascarenhas NM; Ghoshal N
J Chem Inf Model; 2008 Jul; 48(7):1325-36. PubMed ID: 18564835
[TBL] [Abstract][Full Text] [Related]
39. Study of a ligand complexed with Cdk2/Cdk4 by computer simulation.
Jiang Y; Zou J; Gui C
J Mol Model; 2005 Nov; 11(6):509-15. PubMed ID: 15928920
[TBL] [Abstract][Full Text] [Related]
40. Molecular modeling study of CP-690550 derivatives as JAK3 kinase inhibitors through combined 3D-QSAR, molecular docking, and dynamics simulation techniques.
Wang JL; Cheng LP; Wang TC; Deng W; Wu FH
J Mol Graph Model; 2017 Mar; 72():178-186. PubMed ID: 28107751
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
