175 related articles for article (PubMed ID: 38202604)
1. Computational 3D Modeling-Based Identification of Inhibitors Targeting Cysteine Covalent Bond Catalysts for JAK3 and CYP3A4 Enzymes in the Treatment of Rheumatoid Arthritis.
Faris A; Alnajjar R; Guo J; Al Mughram MH; Aouidate A; Asmari M; Elhallaoui M
Molecules; 2023 Dec; 29(1):. PubMed ID: 38202604
[TBL] [Abstract][Full Text] [Related]
2. Computer-Aided Drug Design of Novel Derivatives of 2-Amino-7,9-dihydro-8H-purin-8-one as Potent Pan-Janus JAK3 Inhibitors.
Faris A; Ibrahim IM; Al Kamaly O; Saleh A; Elhallaoui M
Molecules; 2023 Aug; 28(15):. PubMed ID: 37570884
[TBL] [Abstract][Full Text] [Related]
3. High-throughput virtual screening of phenylpyrimidine derivatives as selective JAK3 antagonists using computational methods.
Faris A; Ibrahim IM; Hadni H; Elhallaoui M
J Biomol Struct Dyn; 2023 Aug; ():1-26. PubMed ID: 37539779
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Ligand-based and e-pharmacophore modeling, 3D-QSAR and hierarchical virtual screening to identify dual inhibitors of spleen tyrosine kinase (Syk) and janus kinase 3 (JAK3).
Kaur M; Silakari O
J Biomol Struct Dyn; 2017 Nov; 35(14):3043-3060. PubMed ID: 27678281
[TBL] [Abstract][Full Text] [Related]
6. Novel tumor necrosis factor-α (TNF-α) inhibitors from small molecule library screening for their therapeutic activity profiles against rheumatoid arthritis using target-driven approaches and binary QSAR models.
Zaka M; Abbasi BH; Durdagi S
J Biomol Struct Dyn; 2019 Jun; 37(9):2464-2476. PubMed ID: 30047845
[TBL] [Abstract][Full Text] [Related]
7. QSAR-driven screening uncovers and designs novel pyrimidine-4,6-diamine derivatives as potent JAK3 inhibitors.
Faris A; Ibrahim IM; Alnajjar R; Hadni H; Bhat MA; Yaseen M; Chakraborty S; Alsakhen N; Shamkh IM; Mabood F; M Naglah A; Ullah I; Ziedan N; Elhallaoui M
J Biomol Struct Dyn; 2023 Dec; ():1-30. PubMed ID: 38059345
[TBL] [Abstract][Full Text] [Related]
8. Molecular dynamics and integrated pharmacophore-based identification of dual [Formula: see text] inhibitors.
Kaur M; Singh PK; Singh M; Bahadur R; Silakari O
Mol Divers; 2018 Feb; 22(1):95-112. PubMed ID: 29138965
[TBL] [Abstract][Full Text] [Related]
9. Design and Synthesis of a Highly Selective JAK3 Inhibitor for the Treatment of Rheumatoid Arthritis.
He L; Pei H; Lan T; Tang M; Zhang C; Chen L
Arch Pharm (Weinheim); 2017 Nov; 350(11):. PubMed ID: 28944566
[TBL] [Abstract][Full Text] [Related]
10. 3D QSAR, Docking, Molecular Dynamics Simulations and MM-GBSA studies of Extended Side Chain of the Antitubercular Drug (6S) 2-Nitro-6- {[4-(trifluoromethoxy) benzyl] oxy}-6,7-dihydro-5H-imidazo[2,1-b] [1,3] oxazine.
Chaudhari HK; Pahelkar A
Infect Disord Drug Targets; 2019; 19(2):145-166. PubMed ID: 30324898
[TBL] [Abstract][Full Text] [Related]
11. Discovery of novel dual Bruton's tyrosine kinase (BTK) and Janus kinase 3 (JAK3) inhibitors as a promising strategy for rheumatoid arthritis.
Liang T; Cen L; Wang J; Cheng M; Guo W; Wang W; Yu C; Zhang H; Wang Y; Hao Z; Jin J; Wu Y; Jiang T; Zhu Q; Xu Y
Bioorg Med Chem; 2023 Dec; 96():117354. PubMed ID: 37944414
[TBL] [Abstract][Full Text] [Related]
12. Lead generation of cysteine based mesenchymal epithelial transition (c-Met) kinase inhibitors: Using structure-based scaffold hopping, 3D-QSAR pharmacophore modeling, virtual screening, molecular docking, and molecular dynamics simulation.
Raafat A; Mowafy S; Abouseri SM; Fouad MA; Farag NA
Comput Biol Med; 2022 Jul; 146():105526. PubMed ID: 35487125
[TBL] [Abstract][Full Text] [Related]
13. Molecular modeling study of CP-690550 derivatives as JAK3 kinase inhibitors through combined 3D-QSAR, molecular docking, and dynamics simulation techniques.
Wang JL; Cheng LP; Wang TC; Deng W; Wu FH
J Mol Graph Model; 2017 Mar; 72():178-186. PubMed ID: 28107751
[TBL] [Abstract][Full Text] [Related]
14. Discovery of Novel DPP-IV Inhibitors as Potential Candidates for the Treatment of Type 2
Musoev A; Numonov S; You Z; Gao H
Molecules; 2019 Aug; 24(16):. PubMed ID: 31394858
[TBL] [Abstract][Full Text] [Related]
15. Oxindole-based SYK and JAK3 dual inhibitors for rheumatoid arthritis: designing, synthesis and biological evaluation.
Kaur M; Singh M; Silakari O
Future Med Chem; 2017 Jul; 9(11):1193-1211. PubMed ID: 28722479
[TBL] [Abstract][Full Text] [Related]
16.
Faris A; Cacciatore I; Ibrahim IM; Al Mughram MH; Hadni H; Tabti K; Elhallaoui M
J Biomol Struct Dyn; 2023 Oct; ():1-23. PubMed ID: 37861428
[TBL] [Abstract][Full Text] [Related]
17. Design and synthesis of highly selective Janus kinase 3 covalent inhibitors for the treatment of rheumatoid arthritis.
Yao H; Zhang J; Zheng Q; Zeng X; Huang H; Ling Z; Tang M; Chen Z; Wang W; He L
Arch Pharm (Weinheim); 2024 Jun; 357(6):e2300753. PubMed ID: 38442328
[TBL] [Abstract][Full Text] [Related]
18. 3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Dynamics Simulations for the Identification of Spleen Tyrosine Kinase Inhibitors.
Kumar V; Parate S; Danishuddin ; Zeb A; Singh P; Lee G; Jung TS; Lee KW; Ha MW
Front Cell Infect Microbiol; 2022; 12():909111. PubMed ID: 35846777
[TBL] [Abstract][Full Text] [Related]
19. Novel 1H-pyrazolo[3,4-d]pyrimidin-6-amino derivatives as potent selective Janus kinase 3 (JAK3) inhibitors. Evaluation of their improved effect for the treatment of rheumatoid arthritis.
Yin Y; Chen CJ; Yu RN; Shu L; Wang ZJ; Zhang TT; Zhang DY
Bioorg Chem; 2020 May; 98():103720. PubMed ID: 32171982
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]
