202 related articles for article (PubMed ID: 31625456)
1. Identification of novel inhibitor of protein tyrosine phosphatases delta: structure-based pharmacophore modeling, virtual screening, flexible docking, molecular dynamics simulation, and post-molecular dynamics analysis.
Ma YC; Yang B; Wang X; Zhou L; Li WY; Liu WS; Lu XH; Zheng ZH; Ma Y; Wang RL
J Biomol Struct Dyn; 2020 Sep; 38(15):4432-4448. PubMed ID: 31625456
[TBL] [Abstract][Full Text] [Related]
2. Identification of potential leukocyte antigen-related protein (PTP-LAR) inhibitors through 3D QSAR pharmacophore-based virtual screening and molecular dynamics simulation.
Du S; Yang B; Wang X; Li WY; Lu XH; Zheng ZH; Ma Y; Wang RL
J Biomol Struct Dyn; 2020 Sep; 38(14):4232-4245. PubMed ID: 31588870
[TBL] [Abstract][Full Text] [Related]
3. Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors.
Hu Y; Zhou L; Zhu X; Dai D; Bao Y; Qiu Y
J Biomol Struct Dyn; 2019 Jul; 37(10):2703-2715. PubMed ID: 30052133
[TBL] [Abstract][Full Text] [Related]
4. Search for potentially biased epidermal growth factor receptor (EGFR) inhibitors through pharmacophore modelling, molecular docking, and molecular dynamics (MD) simulation approaches.
Jethwa M; Gangopadhyay A; Saha A
J Biomol Struct Dyn; 2023 Mar; 41(5):1681-1689. PubMed ID: 35014597
[TBL] [Abstract][Full Text] [Related]
5. Identification of potential PKC inhibitors through pharmacophore designing, 3D-QSAR and molecular dynamics simulations targeting Alzheimer's disease.
Iqbal S; Anantha Krishnan D; Gunasekaran K
J Biomol Struct Dyn; 2018 Nov; 36(15):4029-4044. PubMed ID: 29182053
[TBL] [Abstract][Full Text] [Related]
6. Identification of HDAC6 selective inhibitors: pharmacophore based virtual screening, molecular docking and molecular dynamics simulation.
Yan G; Li D; Zhong X; Liu G; Wang X; Lu Y; Qin F; Guo Y; Duan S; Li D
J Biomol Struct Dyn; 2021 Apr; 39(6):1928-1939. PubMed ID: 32178584
[TBL] [Abstract][Full Text] [Related]
7. Estrogen receptor potentially stable conformations from molecular dynamics as a structure-based pharmacophore model for mapping, screening, and identifying ligands-a new paradigm shift in pharmacophore screening.
Shanmugarajan D; David C
J Biomol Struct Dyn; 2023 Jul; 41(11):4939-4948. PubMed ID: 35543232
[TBL] [Abstract][Full Text] [Related]
8. 3D QSAR Pharmacophore Based Virtual Screening for Identification of Potential Inhibitors for CDC25B.
Ma Y; Li HL; Chen XB; Jin WY; Zhou H; Ma Y; Wang RL
Comput Biol Chem; 2018 Apr; 73():1-12. PubMed ID: 29413811
[TBL] [Abstract][Full Text] [Related]
9. Ligand-based pharmacophore modeling of TNF-α to design novel inhibitors using virtual screening and molecular dynamics.
Jade DD; Pandey R; Kumar R; Gupta D
J Biomol Struct Dyn; 2022 Mar; 40(4):1702-1718. PubMed ID: 33034255
[TBL] [Abstract][Full Text] [Related]
10. Screening for the selective inhibitors of MMP-9 from natural products based on pharmacophore modeling and molecular docking in combination with bioassay experiment, hybrid QM/MM calculation, and MD simulation.
Hou J; Zou Q; Wang Y; Gao Q; Yao W; Yao Q; Zhang J
J Biomol Struct Dyn; 2019 Aug; 37(12):3135-3149. PubMed ID: 30079817
[TBL] [Abstract][Full Text] [Related]
11. Ligand based 3D-QSAR model, pharmacophore, molecular docking and ADME to identify potential fibroblast growth factor receptor 1 inhibitors.
Huang L; Wu X; Fu X; Wang H; Tang B; Xiao Y; Zhou C; Zhao Z; Wan Y; Chen H; Tang Z; Yao H; Shan Z; Bu T
J Biomol Struct Dyn; 2022 Oct; 40(16):7584-7597. PubMed ID: 33734039
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. 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]
14. Pharmacophore modeling and virtual screening in search of novel Bruton's tyrosine kinase inhibitors.
Sharma A; Thelma BK
J Mol Model; 2019 Jun; 25(7):179. PubMed ID: 31172362
[TBL] [Abstract][Full Text] [Related]
15. Identification of the potential dual inhibitor of protein tyrosine phosphatase sigma and leukocyte common antigen-related phosphatase by virtual screen, molecular dynamic simulations and post-analysis.
Zhou L; Ma YC; Tang X; Li WY; Ma Y; Wang RL
J Biomol Struct Dyn; 2021 Jan; 39(1):45-62. PubMed ID: 31842717
[TBL] [Abstract][Full Text] [Related]
16. Combined pharmacophore modeling, 3D-QSAR and docking studies to identify novel HDAC inhibitors using drug repurposing.
Liu J; Zhu Y; He Y; Zhu H; Gao Y; Li Z; Zhu J; Sun X; Fang F; Wen H; Li W
J Biomol Struct Dyn; 2020 Feb; 38(2):533-547. PubMed ID: 30938574
[TBL] [Abstract][Full Text] [Related]
17. Pharmacophore-based virtual screening approach for identification of potent natural modulatory compounds of human Toll-like receptor 7.
Gupta CL; Babu Khan M; Ampasala DR; Akhtar S; Dwivedi UN; Bajpai P
J Biomol Struct Dyn; 2019 Nov; 37(18):4721-4736. PubMed ID: 30661449
[TBL] [Abstract][Full Text] [Related]
18. 3D QSAR pharmacophore-based virtual screening for the identification of potential inhibitors of tyrosinase.
Ghayas S; Ali Masood M; Parveen R; Aquib M; Farooq MA; Banerjee P; Sambhare S; Bavi R
J Biomol Struct Dyn; 2020 Jul; 38(10):2916-2927. PubMed ID: 31334690
[TBL] [Abstract][Full Text] [Related]
19. Identification of selective MMP-9 inhibitors through multiple e-pharmacophore, ligand-based pharmacophore, molecular docking, and density functional theory approaches.
Jana S; Singh SK
J Biomol Struct Dyn; 2019 Mar; 37(4):944-965. PubMed ID: 29475408
[TBL] [Abstract][Full Text] [Related]
20. Discovery of potent Camkk1 kinase inhibitors through e-pharmacophore and molecular screening approaches.
Prajisha J; Biswal J; Jeyakanthan J
J Biomol Struct Dyn; 2022 Apr; 40(6):2740-2756. PubMed ID: 33155526
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]