280 related articles for article (PubMed ID: 27164065)
1. In Silico Exploration of 1,7-Diazacarbazole Analogs as Checkpoint Kinase 1 Inhibitors by Using 3D QSAR, Molecular Docking Study, and Molecular Dynamics Simulations.
Gao X; Han L; Ren Y
Molecules; 2016 May; 21(5):. PubMed ID: 27164065
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. 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]
5. 3D-QSAR study of Chk1 kinase inhibitors based on docking.
Zhao L; Liu Y; Hu S; Zhang H
J Mol Model; 2012 Aug; 18(8):3669-94. PubMed ID: 22367634
[TBL] [Abstract][Full Text] [Related]
6. Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1.
Li Y; Peng J; Zhou Y; Li P; Li Y; Liu X; Siddique AN; Zhang L; Zuo Z
Comput Biol Chem; 2018 Oct; 76():53-60. PubMed ID: 29940486
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. Molecular modeling studies to characterize N-phenylpyrimidin-2-amine selectivity for CDK2 and CDK4 through 3D-QSAR and molecular dynamics simulations.
Chohan TA; Chen JJ; Qian HY; Pan YL; Chen JZ
Mol Biosyst; 2016 Apr; 12(4):1250-68. PubMed ID: 26883408
[TBL] [Abstract][Full Text] [Related]
9. 3D-QSAR studies of Checkpoint Kinase Weel inhibitors based on molecular docking, CoMFA and CoMSIA.
Yi P; Fang X; Qiu M
Eur J Med Chem; 2008 May; 43(5):925-38. PubMed ID: 17698256
[TBL] [Abstract][Full Text] [Related]
10. Molecular Modeling Studies on Carbazole Carboxamide Based BTK Inhibitors Using Docking and Structure-Based 3D-QSAR.
Li R; Du Y; Gao Z; Shen J
Int J Mol Sci; 2018 Apr; 19(4):. PubMed ID: 29671827
[TBL] [Abstract][Full Text] [Related]
11. 3D-QSAR, molecular dynamics simulations and molecular docking studies of benzoxazepine moiety as mTOR inhibitor for the treatment of lung cancer.
Chaube U; Chhatbar D; Bhatt H
Bioorg Med Chem Lett; 2016 Feb; 26(3):864-874. PubMed ID: 26764189
[TBL] [Abstract][Full Text] [Related]
12. Structure-based quantitative structure-activity relationship studies of checkpoint kinase 1 inhibitors.
Du J; Xi L; Lei B; Lu J; Li J; Liu H; Yao X
J Comput Chem; 2010 Nov; 31(15):2783-93. PubMed ID: 20839304
[TBL] [Abstract][Full Text] [Related]
13. Combined 3D-QSAR and Docking Modelling Study on Indolocarbazole Series Compounds as Tie-2 Inhibitors.
Tian Y; Xu J; Li Z; Zhu Z; Zhang J; Wu S
Int J Mol Sci; 2011; 12(8):5080-97. PubMed ID: 21954347
[TBL] [Abstract][Full Text] [Related]
14. In Silico Exploration of Aryl Halides Analogues as Checkpoint Kinase 1 Inhibitors by Using 3D QSAR, Molecular Docking Study, and ADMET Screening.
Ghaleb A; Aouidate A; Bouachrine M; Lakhlifi T; Sbai A
Adv Pharm Bull; 2019 Feb; 9(1):84-92. PubMed ID: 31011562
[No Abstract] [Full Text] [Related]
15. 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]
16. Integrated molecular docking, 3D QSAR and molecular dynamics simulation studies on indole derivatives for designing new Pim-1 inhibitors.
Peddi SR; Peddi SR; Sivan S; Veerati R; Manga V
J Recept Signal Transduct Res; 2020 Feb; 40(1):1-14. PubMed ID: 31931654
[TBL] [Abstract][Full Text] [Related]
17. Molecular modeling studies on series of Btk inhibitors using docking, structure-based 3D-QSAR and molecular dynamics simulation: a combined approach.
Balasubramanian PK; Balupuri A; Cho SJ
Arch Pharm Res; 2016 Mar; 39(3):328-39. PubMed ID: 26699616
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. Design of novel FLT-3 inhibitors based on dual-layer 3D-QSAR model and fragment-based compounds in silico.
Shih KC; Lin CY; Chi HC; Hwang CS; Chen TS; Tang CY; Hsiao NW
J Chem Inf Model; 2012 Jan; 52(1):146-55. PubMed ID: 22142286
[TBL] [Abstract][Full Text] [Related]
20. 3D-QSAR and molecular docking study of LRRK2 kinase inhibitors by CoMFA and CoMSIA methods.
Pourbasheer E; Aalizadeh R
SAR QSAR Environ Res; 2016 May; 27(5):385-407. PubMed ID: 27228480
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]