156 related articles for article (PubMed ID: 37203327)
1. In silico design of novel CDK2 inhibitors through QSAR, ADMET, molecular docking and molecular dynamics simulation studies.
Moussaoui M; Baassi M; Baammi S; Soufi H; Salah M; Daoud R; El Allali A; Belghiti ME; Belaaouad S
J Biomol Struct Dyn; 2023; 41(23):13646-13662. PubMed ID: 37203327
[TBL] [Abstract][Full Text] [Related]
2. Development of novel monoamine oxidase B (MAO-B) inhibitors by combined application of docking-based alignment, 3D-QSAR, ADMET prediction, molecular dynamics simulation, and MM_GBSA binding free energy.
El Aissouq A; Chedadi O; Bouachrine M; Ouammou A; Khalil F
J Biomol Struct Dyn; 2023 Jul; 41(10):4667-4680. PubMed ID: 35510607
[TBL] [Abstract][Full Text] [Related]
3. 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]
4.
Akabli T; Toufik H; Lamchouri F
J Biomol Struct Dyn; 2022 Jun; 40(9):3965-3978. PubMed ID: 33252029
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. Molecular modeling study of pyrrolidine derivatives as novel myeloid cell leukemia-1 inhibitors through combined 3D-QSAR, molecular docking, ADME/Tox and MD simulation techniques.
Tabti K; Baammi S; Sbai A; Maghat H; Lakhlifi T; Bouachrine M
J Biomol Struct Dyn; 2023; 41(23):13798-13814. PubMed ID: 36841617
[TBL] [Abstract][Full Text] [Related]
7.
Shirvani P; Fassihi A
J Biomol Struct Dyn; 2022 Aug; 40(13):5965-5982. PubMed ID: 33475043
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. 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]
10. Multi-combined QSAR, molecular docking, molecular dynamics simulation, and ADMET of Flavonoid derivatives as potent cholinesterase inhibitors.
Soufi H; Moussaoui M; Baammi S; Baassi M; Salah M; Daoud R; El Allali A; Belghiti ME; Moutaabbid M; Belaaouad S
J Biomol Struct Dyn; 2023 Jul; ():1-15. PubMed ID: 37485860
[TBL] [Abstract][Full Text] [Related]
11. A combined
Guendouzi A; Belkhiri L; Guendouzi A; Derouiche TMT; Djekoun A
J Biomol Struct Dyn; 2024; 42(1):119-133. PubMed ID: 36995063
[TBL] [Abstract][Full Text] [Related]
12. New thiazol-hydrazono-coumarin hybrids targeting human cervical cancer cells: Synthesis, CDK2 inhibition, QSAR and molecular docking studies.
Abd El-Karim SS; Syam YM; El Kerdawy AM; Abdelghany TM
Bioorg Chem; 2019 May; 86():80-96. PubMed ID: 30685646
[TBL] [Abstract][Full Text] [Related]
13. Eco-friendly sequential one-pot synthesis, molecular docking, and anticancer evaluation of arylidene-hydrazinyl-thiazole derivatives as CDK2 inhibitors.
El-Naggar AM; El-Hashash MA; Elkaeed EB
Bioorg Chem; 2021 Mar; 108():104615. PubMed ID: 33484942
[TBL] [Abstract][Full Text] [Related]
14. 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; 2023 Jul; ():1-20. PubMed ID: 37424193
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. 3D-QSAR, molecular docking, simulation dynamic and ADMET studies on new quinolines derivatives against colorectal carcinoma activity.
El-Mernissi R; Khaldan A; Bouamrane S; Rehman HM; Alaqarbeh M; Ajana MA; Lakhlifi T; Bouachrine M
J Biomol Struct Dyn; 2024 Apr; 42(7):3682-3699. PubMed ID: 37227776
[TBL] [Abstract][Full Text] [Related]
17. Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19.
Rafi MO; Bhattacharje G; Al-Khafaji K; Taskin-Tok T; Alfasane MA; Das AK; Parvez MAK; Rahman MS
J Biomol Struct Dyn; 2022 May; 40(8):3711-3730. PubMed ID: 33251975
[TBL] [Abstract][Full Text] [Related]
18. Reconnoitering imidazopyridazines as anticancer agents based on virtual modelling approach: quantitative structure activity relationship, molecular docking and molecular dynamics.
Mangala K; Vinayak W; Aasiya C; Chandrakant B; Amol M; Kumar D; Kulkarni R
J Biomol Struct Dyn; 2024 Mar; 42(5):2392-2409. PubMed ID: 37160699
[TBL] [Abstract][Full Text] [Related]
19. Molecular modeling studies of pyrrolo[2,3-d]pyrimidin-4-amine derivatives as JAK1 inhibitors based on 3D-QSAR, molecular docking, molecular dynamics (MD) and MM-PBSA calculations.
Keretsu S; Bhujbal SP; Cho SJ
J Biomol Struct Dyn; 2021 Feb; 39(3):753-765. PubMed ID: 31916502
[TBL] [Abstract][Full Text] [Related]
20. Design, synthesis, extra-precision docking, and molecular dynamics simulation studies of pyrrolidin-2-one derivatives as potential acetylcholinesterase inhibitors.
Gupta M; Kumar A; Prasun C; Nair MS; Kini SG; Yadav D; Nain S
J Biomol Struct Dyn; 2023; 41(13):6282-6294. PubMed ID: 35921217
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
