236 related articles for article (PubMed ID: 25584832)
1. Combined pharmacophore modeling, 3D-QSAR, homology modeling and docking studies on CYP11B1 inhibitors.
Yu R; Wang J; Wang R; Lin Y; Hu Y; Wang Y; Shu M; Lin Z
Molecules; 2015 Jan; 20(1):1014-30. PubMed ID: 25584832
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. 3D QSAR studies, pharmacophore modeling and virtual screening on a series of steroidal aromatase inhibitors.
Xie H; Qiu K; Xie X
Int J Mol Sci; 2014 Nov; 15(11):20927-47. PubMed ID: 25405729
[TBL] [Abstract][Full Text] [Related]
4.
Liu J; Feng K; Ren Y
J Biomol Struct Dyn; 2019 Sep; 37(14):3803-3821. PubMed ID: 30261821
[TBL] [Abstract][Full Text] [Related]
5. 3D-QSAR CoMFA, CoMSIA studies on substituted ureas as Raf-1 kinase inhibitors and its confirmation with structure-based studies.
Thaimattam R; Daga P; Rajjak SA; Banerjee R; Iqbal J
Bioorg Med Chem; 2004 Dec; 12(24):6415-25. PubMed ID: 15556759
[TBL] [Abstract][Full Text] [Related]
6. Structure of human cortisol-producing cytochrome P450 11B1 bound to the breast cancer drug fadrozole provides insights for drug design.
Brixius-Anderko S; Scott EE
J Biol Chem; 2019 Jan; 294(2):453-460. PubMed ID: 30425102
[TBL] [Abstract][Full Text] [Related]
7. Prediction of Novel Anoctamin1 (ANO1) Inhibitors Using 3D-QSAR Pharmacophore Modeling and Molecular Docking.
Lee YH; Yi GS
Int J Mol Sci; 2018 Oct; 19(10):. PubMed ID: 30336555
[TBL] [Abstract][Full Text] [Related]
8. Identification of the Structural Features of Guanine Derivatives as MGMT Inhibitors Using 3D-QSAR Modeling Combined with Molecular Docking.
Sun G; Fan T; Zhang N; Ren T; Zhao L; Zhong R
Molecules; 2016 Jun; 21(7):. PubMed ID: 27347909
[TBL] [Abstract][Full Text] [Related]
9. Design of Novel Chemotherapeutic Agents Targeting Checkpoint Kinase 1 Using 3D-QSAR Modeling and Molecular Docking Methods.
Balupuri A; Balasubramanian PK; Cho SJ
Curr Comput Aided Drug Des; 2016; 12(4):302-313. PubMed ID: 27585602
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. Combined pharmacophore modeling, docking, and 3D-QSAR studies of PLK1 inhibitors.
Lu S; Liu HC; Chen YD; Yuan HL; Sun SL; Gao YP; Yang P; Zhang L; Lu T
Int J Mol Sci; 2011; 12(12):8713-39. PubMed ID: 22272100
[TBL] [Abstract][Full Text] [Related]
12. Pharmacophore generation, atom-based 3D-QSAR, molecular docking and molecular dynamics simulation studies on benzamide analogues as FtsZ inhibitors.
Tripathy S; Azam MA; Jupudi S; Sahu SK
J Biomol Struct Dyn; 2018 Sep; 36(12):3218-3230. PubMed ID: 28938860
[TBL] [Abstract][Full Text] [Related]
13. Mapping the binding site of a large set of quinazoline type EGF-R inhibitors using molecular field analyses and molecular docking studies.
Hou T; Zhu L; Chen L; Xu X
J Chem Inf Comput Sci; 2003; 43(1):273-87. PubMed ID: 12546563
[TBL] [Abstract][Full Text] [Related]
14. 3D QSAR CoMFA/CoMSIA and docking studies on azole dione derivatives, as anti-cancer inhibitors.
Anugolu RK; Gunda SK; Mahmood S
Int J Comput Biol Drug Des; 2012; 5(2):111-36. PubMed ID: 22854121
[TBL] [Abstract][Full Text] [Related]
15. 3D QSAR studies on protein tyrosine phosphatase 1B inhibitors: comparison of the quality and predictivity among 3D QSAR models obtained from different conformer-based alignments.
Pandey G; Saxena AK
J Chem Inf Model; 2006; 46(6):2579-90. PubMed ID: 17125198
[TBL] [Abstract][Full Text] [Related]
16. 3D QSAR, Docking, Molecular Dynamics Simulations and MM-GBSA studies of Extended Side Chain of the Antitubercular Drug (6S) 2-Nitro-6- {[4-(trifluoromethoxy) benzyl] oxy}-6,7-dihydro-5H-imidazo[2,1-b] [1,3] oxazine.
Chaudhari HK; Pahelkar A
Infect Disord Drug Targets; 2019; 19(2):145-166. PubMed ID: 30324898
[TBL] [Abstract][Full Text] [Related]
17. Molecular Modeling Study for the Design of Novel Peroxisome Proliferator-Activated Receptor Gamma Agonists using 3D-QSAR and Molecular Docking.
Jian Y; He Y; Yang J; Han W; Zhai X; Zhao Y; Li Y
Int J Mol Sci; 2018 Feb; 19(2):. PubMed ID: 29473866
[TBL] [Abstract][Full Text] [Related]
18. A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study.
Choubey SK; Jeyaraman J
J Mol Graph Model; 2016 Nov; 70():54-69. PubMed ID: 27668885
[TBL] [Abstract][Full Text] [Related]
19. Exploring the structure determinants of pyrazinone derivatives as PDE5 3HC8 inhibitors: an in silico analysis.
Li Y; Wu W; Ren H; Wang J; Zhang S; Li G; Yang L
J Mol Graph Model; 2012 Sep; 38():112-22. PubMed ID: 23085160
[TBL] [Abstract][Full Text] [Related]
20. Molecular docking and 3D-QSAR studies of Yersinia protein tyrosine phosphatase YopH inhibitors.
Hu X; Stebbins CE
Bioorg Med Chem; 2005 Feb; 13(4):1101-9. PubMed ID: 15670918
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]