197 related articles for article (PubMed ID: 37020092)
1. 3D-QSAR, molecular docking, and molecular dynamics analysis of dihydrodiazaindolone derivatives as PARP-1 inhibitors.
Zhao J; Yu N; Zhao X; Quan W; Shu M
J Mol Model; 2023 Apr; 29(5):131. PubMed ID: 37020092
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. Molecular modeling studies on benzimidazole carboxamide derivatives as PARP-1 inhibitors using 3D-QSAR and docking.
Zeng H; Zhang H; Jang F; Zhao L; Zhang J
Chem Biol Drug Des; 2011 Sep; 78(3):333-52. PubMed ID: 21585709
[TBL] [Abstract][Full Text] [Related]
5. In silico design novel (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine derivatives as inhibitors for glycogen synthase kinase 3 based on 3D-QSAR, molecular docking and molecular dynamics simulation.
He Q; Han C; Li G; Guo H; Wang Y; Hu Y; Lin Z; Wang Y
Comput Biol Chem; 2020 Oct; 88():107328. PubMed ID: 32688011
[TBL] [Abstract][Full Text] [Related]
6.
Shirvani P; Fassihi A
J Biomol Struct Dyn; 2022 Aug; 40(13):5965-5982. PubMed ID: 33475043
[TBL] [Abstract][Full Text] [Related]
7. 3D-QSAR, molecular docking, and molecular dynamic simulations for prediction of new Hsp90 inhibitors based on isoxazole scaffold.
Abbasi M; Sadeghi-Aliabadi H; Amanlou M
J Biomol Struct Dyn; 2018 May; 36(6):1463-1478. PubMed ID: 28482755
[TBL] [Abstract][Full Text] [Related]
8. QSAR Modeling, Molecular Docking and Molecular Dynamics Simulations Studies of Lysine-Specific Demethylase 1 (LSD1) Inhibitors as Anticancer Agents.
Abdizadeh R; Heidarian E; Hadizadeh F; Abdizadeh T
Anticancer Agents Med Chem; 2021; 21(8):987-1018. PubMed ID: 32698753
[TBL] [Abstract][Full Text] [Related]
9. Stepwise development of structure-activity relationship of diverse PARP-1 inhibitors through comparative and validated in silico modeling techniques and molecular dynamics simulation.
Halder AK; Saha A; Saha KD; Jha T
J Biomol Struct Dyn; 2015; 33(8):1756-79. PubMed ID: 25350685
[TBL] [Abstract][Full Text] [Related]
10. Docking-based 3D-QSAR study of pyridyl aminothiazole derivatives as checkpoint kinase 1 inhibitors.
Balupuri A; Balasubramanian PK; Gadhe CG; Cho SJ
SAR QSAR Environ Res; 2014; 25(8):651-71. PubMed ID: 24911214
[TBL] [Abstract][Full Text] [Related]
11. Computational Investigations of Coumarin Derivatives as Cyclindependent Kinase 9 Inhibitors Using 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation.
Liu S; Li Y; Wei X; Zhang R; Zhang Y; Guo C
Curr Comput Aided Drug Des; 2022; 18(5):363-380. PubMed ID: 35980073
[TBL] [Abstract][Full Text] [Related]
12. Multiple receptor conformation docking, dock pose clustering and 3D QSAR studies on human poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors.
Fatima S; Jatavath MB; Bathini R; Sivan SK; Manga V
J Recept Signal Transduct Res; 2014 Oct; 34(5):417-30. PubMed ID: 25046176
[TBL] [Abstract][Full Text] [Related]
13. Design Two Novel Tetrahydroquinoline Derivatives against Anticancer Target LSD1 with 3D-QSAR Model and Molecular Simulation.
Xu Y; Fan B; Gao Y; Chen Y; Han D; Lu J; Liu T; Gao Q; Zhang JZ; Wang M
Molecules; 2022 Nov; 27(23):. PubMed ID: 36500451
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. 3D-QSAR (CoMFA, CoMSIA), molecular docking and molecular dynamics simulations study of 6-aryl-5-cyano-pyrimidine derivatives to explore the structure requirements of LSD1 inhibitors.
Ding L; Wang ZZ; Sun XD; Yang J; Ma CY; Li W; Liu HM
Bioorg Med Chem Lett; 2017 Aug; 27(15):3521-3528. PubMed ID: 28610981
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. CoMFA, CoMSIA and HQSAR Analysis of 3-aryl-3-ethoxypropanoic Acid Derivatives as GPR40 Modulators.
Gajjar KA; Gajjar AK
Curr Drug Discov Technol; 2020; 17(1):100-118. PubMed ID: 30160214
[TBL] [Abstract][Full Text] [Related]
18. In silico studies on p21-activated kinase 4 inhibitors: comprehensive application of 3D-QSAR analysis, molecular docking, molecular dynamics simulations, and MM-GBSA calculation.
Gao Y; Wang H; Wang J; Cheng M
J Biomol Struct Dyn; 2020 Sep; 38(14):4119-4133. PubMed ID: 31556340
[TBL] [Abstract][Full Text] [Related]
19. Three-dimensional quantitative structural-activity relationship and molecular dynamics study of multivariate substituted 4-oxyquinazoline HDAC6 inhibitors.
Zhao L; Fu L; Li G; Yu Y; Wang J; Liang H; Shu M; Lin Z; Wang Y
Mol Divers; 2023 Jun; 27(3):1123-1140. PubMed ID: 35767128
[TBL] [Abstract][Full Text] [Related]
20. Molecular modeling studies of [6,6,5] Tricyclic Fused Oxazolidinones as FXa inhibitors using 3D-QSAR, Topomer CoMFA, molecular docking and molecular dynamics simulations.
Xu C; Ren Y
Bioorg Med Chem Lett; 2015 Oct; 25(20):4522-8. PubMed ID: 26343829
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
