157 related articles for article (PubMed ID: 38675594)
1. QSAR Study, Molecular Docking and Molecular Dynamic Simulation of Aurora Kinase Inhibitors Derived from Imidazo[4,5-
Tian YY; Tong JB; Liu Y; Tian Y
Molecules; 2024 Apr; 29(8):. PubMed ID: 38675594
[TBL] [Abstract][Full Text] [Related]
2. Computational investigation of imidazo[2,1-b]oxazole derivatives as potential mutant BRAF kinase inhibitors: 3D-QSAR, molecular docking, molecular dynamics simulation, and ADMETox studies.
Boutalaka M; El Bahi S; Alaqarbeh M; El Alaouy MA; Koubi Y; Khatabi KE; Maghat H; Bouachrine M; Lakhlifi T
J Biomol Struct Dyn; 2024 Jul; 42(10):5268-5287. PubMed ID: 37424193
[TBL] [Abstract][Full Text] [Related]
3. QSAR analysis of 3-pyrimidin-4-yl-oxazolidin-2-one derivatives isocitrate dehydrogenase inhibitors using Topomer CoMFA and HQSAR methods.
Tong JB; Bian S; Zhang X; Luo D
Mol Divers; 2022 Apr; 26(2):1017-1037. PubMed ID: 33974175
[TBL] [Abstract][Full Text] [Related]
4. CoMFA, CoMSIA, Topomer CoMFA, HQSAR, molecular docking and molecular dynamics simulations study of triazine morpholino derivatives as mTOR inhibitors for the treatment of breast cancer.
Chhatbar DM; Chaube UJ; Vyas VK; Bhatt HG
Comput Biol Chem; 2019 Jun; 80():351-363. PubMed ID: 31085426
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. Molecular docking, 3D QSAR and dynamics simulation studies of imidazo-pyrrolopyridines as janus kinase 1 (JAK 1) inhibitors.
Itteboina R; Ballu S; Sivan SK; Manga V
Comput Biol Chem; 2016 Oct; 64():33-46. PubMed ID: 27244086
[TBL] [Abstract][Full Text] [Related]
7. QSAR studies on imidazopyrazine derivatives as Aurora A kinase inhibitors.
Leng Y; Lu T; Yuan HL; Liu HC; Lu S; Zhang WW; Jiang YL; Chen YD
SAR QSAR Environ Res; 2012 Oct; 23(7-8):705-30. PubMed ID: 22971111
[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. Discovery of novel BRD4-BD2 inhibitors via in silico approaches: QSAR techniques, molecular docking, and molecular dynamics simulations.
Tong JB; Xiao XC; Luo D; Xu HY; Xing YC; Gao P; Liu Y
Mol Divers; 2024 Apr; 28(2):671-692. PubMed ID: 36773087
[TBL] [Abstract][Full Text] [Related]
10. 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]
11.
Shirvani P; Fassihi A
J Biomol Struct Dyn; 2022 Aug; 40(13):5965-5982. PubMed ID: 33475043
[TBL] [Abstract][Full Text] [Related]
12. Molecular Modeling and Design Studies of Purine Derivatives as Novel CDK2 Inhibitors.
Zhang G; Ren Y
Molecules; 2018 Nov; 23(11):. PubMed ID: 30423939
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. In silico discovery of potent and selective Janus kinase 3 (JAK3) inhibitors through 3D-QSAR, covalent docking, ADMET analysis, molecular dynamics simulations, and binding free energy of pyrazolopyrimidine derivatives.
Faris A; Hadni H; Ibrahim IM; Elhallaoui M
J Biomol Struct Dyn; 2024 Jun; 42(9):4817-4833. PubMed ID: 37338041
[TBL] [Abstract][Full Text] [Related]
15. 3D-QSAR and molecular docking studies of azaindole derivatives as Aurora B kinase inhibitors.
Lan P; Chen WN; Sun PH; Chen WM
J Mol Model; 2011 May; 17(5):1191-205. PubMed ID: 20697761
[TBL] [Abstract][Full Text] [Related]
16. Design of 2-Nitroimidazooxazine Derivatives as Deazaflavin-Dependent Nitroreductase (Ddn) Activators as Anti-Mycobacterial Agents Based on 3D QSAR, HQSAR, and Docking Study with In Silico Prediction of Activity and Toxicity.
Gupta N; Vyas VK; Patel BD; Ghate M
Interdiscip Sci; 2019 Jun; 11(2):191-205. PubMed ID: 28895050
[TBL] [Abstract][Full Text] [Related]
17. Design of novel DABO derivatives as HIV-1 RT inhibitors using molecular docking, molecular dynamics simulations and ADMET properties.
Zhang Y; Chen L; Wang Z; Zhu Y; Jiang H; Xu J; Xiong F
J Biomol Struct Dyn; 2024 May; 42(8):4196-4213. PubMed ID: 37272892
[TBL] [Abstract][Full Text] [Related]
18. Study of Imidazolium Salt Derivatives as PIK3CA Inhibitors Using a Comprehensive in Silico Method.
Wang MY; Liang JW; Li XY; Olounfeh KM; Li SL; Wang S; Wang L; Meng FH
Int J Mol Sci; 2018 Mar; 19(3):. PubMed ID: 29562629
[TBL] [Abstract][Full Text] [Related]
19. 3D-QSAR and molecular docking studies on derivatives of MK-0457, GSK1070916 and SNS-314 as inhibitors against Aurora B kinase.
Zhang B; Li Y; Zhang H; Ai C
Int J Mol Sci; 2010 Nov; 11(11):4326-47. PubMed ID: 21151441
[TBL] [Abstract][Full Text] [Related]
20. 3D-QSAR-aided design of potent c-Met inhibitors using molecular dynamics simulation and binding free energy calculation.
Balasubramanian PK; Balupuri A; Bhujbal SP; Cho SJ
J Biomol Struct Dyn; 2019 May; 37(8):2165-2178. PubMed ID: 30044205
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
