384 related articles for article (PubMed ID: 23941500)
1. Combined 3D-QSAR, molecular docking, molecular dynamics simulation, and binding free energy calculation studies on the 5-hydroxy-2H-pyridazin-3-one derivatives as HCV NS5B polymerase inhibitors.
Yu H; Fang Y; Lu X; Liu Y; Zhang H
Chem Biol Drug Des; 2014 Jan; 83(1):89-105. PubMed ID: 23941500
[TBL] [Abstract][Full Text] [Related]
2. Insight into the structural requirements of benzothiadiazine scaffold-based derivatives as hepatitis C virus NS5B polymerase inhibitors using 3D-QSAR, molecular docking and molecular dynamics.
Zhang HX; Li Y; Wang X; Xiao ZT; Wang YH
Curr Med Chem; 2011; 18(26):4019-28. PubMed ID: 21824089
[TBL] [Abstract][Full Text] [Related]
3. Multiple e-pharmacophore modeling, 3D-QSAR, and high-throughput virtual screening of hepatitis C virus NS5B polymerase inhibitors.
Therese PJ; Manvar D; Kondepudi S; Battu MB; Sriram D; Basu A; Yogeeswari P; Kaushik-Basu N
J Chem Inf Model; 2014 Feb; 54(2):539-52. PubMed ID: 24460140
[TBL] [Abstract][Full Text] [Related]
4. Combined 3D-QSAR, molecular docking and molecular dynamics study on the benzimidazole inhibitors targeting HCV NS5B polymerase.
Wang Z; Chen Z; Li J; Huang J; Zheng C; Liu JP
J Biomol Struct Dyn; 2020 Mar; 38(4):1071-1082. PubMed ID: 30915896
[TBL] [Abstract][Full Text] [Related]
5. Probing the "fingers" domain binding pocket of Hepatitis C virus NS5B RdRp and D559G resistance mutation via molecular docking, molecular dynamics simulation and binding free energy calculations.
Manjula S; Sivanandam M; Kumaradhas P
J Biomol Struct Dyn; 2019 Jun; 37(9):2440-2456. PubMed ID: 30047829
[TBL] [Abstract][Full Text] [Related]
6. Comparative Molecular Field Analysis and Molecular Docking Studies on Quinolinone Derivatives Indicate Potential Hepatitis C Virus Inhibitors.
Malathi K; Ramaiah S; Anbarasu A
Cell Biochem Biophys; 2019 Jun; 77(2):139-156. PubMed ID: 30796723
[TBL] [Abstract][Full Text] [Related]
7. 3D QSAR and molecular docking studies of benzimidazole derivatives as hepatitis C virus NS5B polymerase inhibitors.
Patel PD; Patel MR; Kaushik-Basu N; Talele TT
J Chem Inf Model; 2008 Jan; 48(1):42-55. PubMed ID: 18076152
[TBL] [Abstract][Full Text] [Related]
8. Novel Guanosine Derivatives as Anti-HCV NS5b Polymerase: A QSAR and Molecular Docking Study.
Elfiky AA
Med Chem; 2019; 15(2):130-137. PubMed ID: 30324891
[TBL] [Abstract][Full Text] [Related]
9. Screening of hepatitis C NS5B polymerase inhibitors containing benzothiadiazine core: a steered molecular dynamics.
Nutho B; Meeprasert A; Chulapa M; Kungwan N; Rungrotmongkol T
J Biomol Struct Dyn; 2017 Jun; 35(8):1743-1757. PubMed ID: 27236925
[TBL] [Abstract][Full Text] [Related]
10. Searching for anthranilic acid-based thumb pocket 2 HCV NS5B polymerase inhibitors through a combination of molecular docking, 3D-QSAR and virtual screening.
Vrontaki E; Melagraki G; Mavromoustakos T; Afantitis A
J Enzyme Inhib Med Chem; 2016; 31(1):38-52. PubMed ID: 26060939
[TBL] [Abstract][Full Text] [Related]
11. Non-nucleoside inhibitors of NS5B polymerase binding to allosteric sites: 3D- QSAR and molecular docking studies.
Cao H; Cao R; Zhang H; Zheng X; Gao D
Curr Med Chem; 2008; 15(15):1462-77. PubMed ID: 18537623
[TBL] [Abstract][Full Text] [Related]
12. Molecular modeling and residue interaction network studies on the mechanism of binding and resistance of the HCV NS5B polymerase mutants to VX-222 and ANA598.
Xue W; Jiao P; Liu H; Yao X
Antiviral Res; 2014 Apr; 104():40-51. PubMed ID: 24462692
[TBL] [Abstract][Full Text] [Related]
13. Identification of potential inhibitors for HCV NS5b of genotype 4a by combining dynamic simulation, protein-ligand interaction fingerprint, 3D pharmacophore, docking and 3D QSAR.
El-Hassab MAE; El-Bastawissy EE; El-Moselhy TF
J Biomol Struct Dyn; 2020 Sep; 38(15):4521-4535. PubMed ID: 31647392
[TBL] [Abstract][Full Text] [Related]
14. Combining 3-D quantitative structure-activity relationship with ligand based and structure based alignment procedures for in silico screening of new hepatitis C virus NS5B polymerase inhibitors.
Musmuca I; Caroli A; Mai A; Kaushik-Basu N; Arora P; Ragno R
J Chem Inf Model; 2010 Apr; 50(4):662-76. PubMed ID: 20225870
[TBL] [Abstract][Full Text] [Related]
15. Receptor-guided 3D-QSAR studies, molecular dynamics simulation and free energy calculations of Btk kinase inhibitors.
Balasubramanian PK; Balupuri A; Kang HY; Cho SJ
BMC Syst Biol; 2017 Mar; 11(Suppl 2):6. PubMed ID: 28361711
[TBL] [Abstract][Full Text] [Related]
16. Insight into ligand selectivity in HCV NS5B polymerase: molecular dynamics simulations, free energy decomposition and docking.
Li T; Froeyen M; Herdewijn P
J Mol Model; 2010 Jan; 16(1):49-59. PubMed ID: 19466613
[TBL] [Abstract][Full Text] [Related]
17. Combination of pharmacophore hypothesis and molecular docking to identify novel inhibitors of HCV NS5B polymerase.
Harikishore A; Li E; Lee JJ; Cho NJ; Yoon HS
Mol Divers; 2015 Aug; 19(3):529-39. PubMed ID: 25862642
[TBL] [Abstract][Full Text] [Related]
18. Probing the binding mechanism of substituted pyridine derivatives as effective and selective lysine-specific demethylase 1 inhibitors using 3D-QSAR, molecular docking and molecular dynamics simulations.
Wang ZZ; Yang J; Sun XD; Ma CY; Gao QB; Ding L; Liu HM
J Biomol Struct Dyn; 2019 Aug; 37(13):3482-3495. PubMed ID: 30175693
[TBL] [Abstract][Full Text] [Related]
19. Studies of benzothiadiazine derivatives as hepatitis C virus NS5B polymerase inhibitors using 3D-QSAR, molecular docking and molecular dynamics.
Wang X; Yang W; Xu X; Zhang H; Li Y; Wang Y
Curr Med Chem; 2010; 17(25):2788-803. PubMed ID: 20586716
[TBL] [Abstract][Full Text] [Related]
20. Discovery of novel Hepatitis C virus inhibitor targeting multiple allosteric sites of NS5B polymerase.
Khalid H; Landry KB; Ijaz B; Ashfaq UA; Ahmed M; Kanwal A; Froeyen M; Mirza MU
Infect Genet Evol; 2020 Oct; 84():104371. PubMed ID: 32485331
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]