171 related articles for article (PubMed ID: 35068344)
1. 3D-QSAR modeling and molecular docking studies on a series of 2, 4, 5-trisubstituted imidazole derivatives as CK2 inhibitors.
Goudzal A; El Aissouq A; El Hamdani H; Hadaji EG; Ouammou A; Bouachrine M
J Biomol Struct Dyn; 2023 Jan; 41(1):234-248. PubMed ID: 35068344
[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. Docking-based 3D-QSAR (CoMFA, CoMFA-RG, CoMSIA) study on hydroquinoline and thiazinan-4-one derivatives as selective COX-2 inhibitors.
Dowlati Beirami A; Hajimahdi Z; Zarghi A
J Biomol Struct Dyn; 2019 Jul; 37(11):2999-3006. PubMed ID: 30035675
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Identification of the Structural Features of Guanine Derivatives as MGMT Inhibitors Using 3D-QSAR Modeling Combined with Molecular Docking.
Sun G; Fan T; Zhang N; Ren T; Zhao L; Zhong R
Molecules; 2016 Jun; 21(7):. PubMed ID: 27347909
[TBL] [Abstract][Full Text] [Related]
6.
Shirvani P; Fassihi A
J Biomol Struct Dyn; 2022 Aug; 40(13):5965-5982. PubMed ID: 33475043
[TBL] [Abstract][Full Text] [Related]
7. CoMFA, CoMSIA and HQSAR Analysis of 3-aryl-3-ethoxypropanoic Acid Derivatives as GPR40 Modulators.
Gajjar KA; Gajjar AK
Curr Drug Discov Technol; 2020; 17(1):100-118. PubMed ID: 30160214
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. 3D QSAR pharmacophore, CoMFA and CoMSIA based design and docking studies on phenyl alkyl ketones as inhibitors of phosphodiesterase 4.
Gaurav A; Singh R
Med Chem; 2012 Sep; 8(5):894-912. PubMed ID: 22741782
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. 3D-QSAR (CoMFA, CoMSIA) and Molecular Docking Studies on Histone Deacetylase 1 Selective Inhibitors.
Abdizadeh T; Ghodsi R; Hadizadeh F
Recent Pat Anticancer Drug Discov; 2017 Nov; 12(4):365-383. PubMed ID: 28482791
[TBL] [Abstract][Full Text] [Related]
12. 3D QSAR and molecular docking studies of benzimidazole derivatives as hepatitis C virus NS5B polymerase inhibitors.
Patel PD; Patel MR; Kaushik-Basu N; Talele TT
J Chem Inf Model; 2008 Jan; 48(1):42-55. PubMed ID: 18076152
[TBL] [Abstract][Full Text] [Related]
13. Structural insights of PA-824 derivatives: ligand-based 3D-QSAR study and design of novel PA824 derivatives as anti-tubercular agents.
Inturi B; Pujar GV; Purohit MN
J Recept Signal Transduct Res; 2015; 35(5):468-78. PubMed ID: 26053507
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. 3D-QSAR, molecular docking, and molecular dynamics analysis of dihydrodiazaindolone derivatives as PARP-1 inhibitors.
Zhao J; Yu N; Zhao X; Quan W; Shu M
J Mol Model; 2023 Apr; 29(5):131. PubMed ID: 37020092
[TBL] [Abstract][Full Text] [Related]
16. 3D-QSAR analysis of a series of S-DABO derivatives as anti-HIV agents by CoMFA and CoMSIA.
Xu HR; Fu L; Zhan P; Liu XY
SAR QSAR Environ Res; 2016 Dec; 27(12):999-1014. PubMed ID: 27667445
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. In silico approaches to develop new phenyl-pyrimidines as glycogen synthase kinase 3 (GSK-3) inhibitors with halogen-bonding capabilities: 3D-QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies.
Cabezas D; Mellado G; Espinoza N; Gárate JA; Morales C; Castro-Alvarez A; Matos MJ; Mellado M; Mella J
J Biomol Struct Dyn; 2023; 41(22):13250-13259. PubMed ID: 36718094
[TBL] [Abstract][Full Text] [Related]
19. CoMFA and CoMSIA 3D QSAR and docking studies on conformationally-restrained cinnamoyl HIV-1 integrase inhibitors: exploration of a binding mode at the active site.
Buolamwini JK; Assefa H
J Med Chem; 2002 Feb; 45(4):841-52. PubMed ID: 11831895
[TBL] [Abstract][Full Text] [Related]
20. Studies on [5,6]-Fused Bicyclic Scaffolds Derivatives as Potent Dual B-RafV600E/KDR Inhibitors Using Docking and 3D-QSAR Approaches.
Liu HC; Tang SZ; Lu S; Ran T; Wang J; Zhang YM; Xu AY; Lu T; Chen YD
Int J Mol Sci; 2015 Oct; 16(10):24451-74. PubMed ID: 26501259
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
