151 related articles for article (PubMed ID: 37203327)
21. Multi-combined 3D-QSAR, docking molecular and ADMET prediction of 5-azaindazole derivatives as LRRK2 tyrosine kinase inhibitors.
Khamouli S; Belaidi S; Ouassaf M; Lanez T; Belaaouad S; Chtita S
J Biomol Struct Dyn; 2022 Feb; 40(3):1285-1298. PubMed ID: 32964807
[TBL] [Abstract][Full Text] [Related]
22. Molecular docking, 3D-QASR and molecular dynamics simulations of thiazoles Pin1 inhibitors.
Zhao J; Liu M; Zang J; Yang S; Chen R; Zhao X; Ding L
J Biomol Struct Dyn; 2022; 40(23):12699-12713. PubMed ID: 34499020
[TBL] [Abstract][Full Text] [Related]
23. Discovery of novel VEGFR2-TK inhibitors by phthalimide pharmacophore based virtual screening, molecular docking, MD simulation and DFT.
Matore BW; Roy PP; Singh J
J Biomol Struct Dyn; 2023; 41(22):13056-13077. PubMed ID: 36775656
[TBL] [Abstract][Full Text] [Related]
24. Design of Novel IRAK4 Inhibitors Using Molecular Docking, Dynamics Simulation and 3D-QSAR Studies.
Bhujbal SP; He W; Hah JM
Molecules; 2022 Sep; 27(19):. PubMed ID: 36234844
[TBL] [Abstract][Full Text] [Related]
25. Structure-based pharmacophore modeling, virtual screening and simulation studies for the identification of potent anticancerous phytochemical lead targeting cyclin-dependent kinase 2.
Sharma M; Sharma N; Muddassir M; Rahman QI; Dwivedi UN; Akhtar S
J Biomol Struct Dyn; 2022; 40(20):9815-9832. PubMed ID: 34151738
[TBL] [Abstract][Full Text] [Related]
26. Quantitative structure-activity relationships analysis, homology modeling, docking and molecular dynamics studies of triterpenoid saponins as Kirsten rat sarcoma inhibitors.
Stitou M; Toufik H; Bouachrine M; Lamchouri F
J Biomol Struct Dyn; 2021 Jan; 39(1):152-170. PubMed ID: 31870215
[TBL] [Abstract][Full Text] [Related]
27. Fibroblast growth factor receptor (FGFR) inhibitors as anticancer agents: 3D-QSAR, molecular docking and dynamics simulation studies of 1, 6-naphthyridines and pyridopyrimidines.
Modh DH; Modi SJ; Deokar H; Yadav S; Kulkarni VM
J Biomol Struct Dyn; 2023 May; 41(8):3591-3606. PubMed ID: 35318898
[TBL] [Abstract][Full Text] [Related]
28. Design of novel dopamine D
Zhang C; Li Q; Meng L; Ren Y
J Biomol Struct Dyn; 2020 Feb; 38(3):860-885. PubMed ID: 30916624
[TBL] [Abstract][Full Text] [Related]
29. Development of pyrolo[2,3-c]pyrazole, pyrolo[2,3-d]pyrimidine and their bioisosteres as novel CDK2 inhibitors with potent in vitro apoptotic anti-proliferative activity: Synthesis, biological evaluation and molecular dynamics investigations.
Azmy EM; Hagras M; Ewida MA; Doghish AS; Gamil Khidr E; El-Husseiny AA; Gomaa MH; Refaat HM; Ismail NSM; Nassar IF; Lashin WH
Bioorg Chem; 2023 Oct; 139():106729. PubMed ID: 37467621
[TBL] [Abstract][Full Text] [Related]
30. Design of novel anti-cancer drugs targeting TRKs inhibitors based 3D QSAR, molecular docking and molecular dynamics simulation.
Er-Rajy M; El Fadili M; Mujwar S; Zarougui S; Elhallaoui M
J Biomol Struct Dyn; 2023; 41(21):11657-11670. PubMed ID: 36695085
[TBL] [Abstract][Full Text] [Related]
31. QSAR based docking studies of marine algal anticancer compounds as inhibitors of protein kinase B (PKBβ).
Davis GD; Vasanthi AH
Eur J Pharm Sci; 2015 Aug; 76():110-8. PubMed ID: 25936945
[TBL] [Abstract][Full Text] [Related]
32. In-silico studies of 2-aminothiazole derivatives as anticancer agents by QSAR, molecular docking, MD simulation and MM-GBSA approaches.
Chitre TS; Hirode PV; Lokwani DK; Bhatambrekar AL; Hajare SG; Thorat SB; Priya D; Pradhan KB; Asgaonkar KD; Jain SP
J Biomol Struct Dyn; 2023 Oct; ():1-19. PubMed ID: 37811574
[TBL] [Abstract][Full Text] [Related]
33. An in silico exploration of the interaction mechanism of pyrazolo[1,5-a]pyrimidine type CDK2 inhibitors.
Li Y; Gao W; Li F; Wang J; Zhang J; Yang Y; Zhang S; Yang L
Mol Biosyst; 2013 Sep; 9(9):2266-81. PubMed ID: 23864105
[TBL] [Abstract][Full Text] [Related]
34. Identification of High-Affinity Inhibitors of Cyclin-Dependent Kinase 2 Towards Anticancer Therapy.
Mohammad T; Batra S; Dahiya R; Baig MH; Rather IA; Dong JJ; Hassan I
Molecules; 2019 Dec; 24(24):. PubMed ID: 31847444
[TBL] [Abstract][Full Text] [Related]
35. Molecular insights of benzodipyrazole as CDK2 inhibitors: combined molecular docking, molecular dynamics, and 3D QSAR studies.
Guttikonda V; Raavi D; Maadwar SK; Gade DR
J Recept Signal Transduct Res; 2015; 35(5):439-49. PubMed ID: 25902329
[TBL] [Abstract][Full Text] [Related]
36. 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]
37. 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]
38. Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches.
Bakal RL; Jawarkar RD; Manwar JV; Jaiswal MS; Ghosh A; Gandhi A; Zaki MEA; Al-Hussain S; Samad A; Masand VH; Mukerjee N; Nasir Abbas Bukhari S; Sharma P; Lewaa I
Saudi Pharm J; 2022 Jun; 30(6):693-710. PubMed ID: 35812153
[TBL] [Abstract][Full Text] [Related]
39. 3D-QSAR, molecular docking, and molecular dynamics simulation of a novel thieno[3,4-d]pyrimidine inhibitor targeting human immunodeficiency virus type 1 reverse transcriptase.
Chu H; He QX; Wang JW; Deng YT; Wang J; Hu Y; Wang YQ; Lin ZH
J Biomol Struct Dyn; 2020 Sep; 38(15):4567-4578. PubMed ID: 31760877
[TBL] [Abstract][Full Text] [Related]
40. Synthesis, docking, MD simulation, ADMET, drug likeness, and DFT studies of novel furo[2,3-b]indol-3a-ol as promising Cyclin-dependent kinase 2 inhibitors.
Gheidari D; Mehrdad M; Bayat M
Sci Rep; 2024 Feb; 14(1):3084. PubMed ID: 38321062
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]