242 related articles for article (PubMed ID: 35621970)
1. The Inhibitors of CDK4/6 from a Library of Marine Compound Database: A Pharmacophore, ADMET, Molecular Docking and Molecular Dynamics Study.
Luo L; Wang Q; Liao Y
Mar Drugs; 2022 May; 20(5):. PubMed ID: 35621970
[TBL] [Abstract][Full Text] [Related]
2. Structure-Based Pharmacophore Modeling, Virtual Screening, Molecular Docking, ADMET, and Molecular Dynamics (MD) Simulation of Potential Inhibitors of PD-L1 from the Library of Marine Natural Products.
Luo L; Zhong A; Wang Q; Zheng T
Mar Drugs; 2021 Dec; 20(1):. PubMed ID: 35049884
[TBL] [Abstract][Full Text] [Related]
3. Design and screening of FAK, CDK 4/6 dual inhibitors by pharmacophore model, molecular docking, and molecular dynamics simulation.
Sun C; Feng L; Sun X; Yu R; Kang C
J Biomol Struct Dyn; 2021 Sep; 39(15):5358-5367. PubMed ID: 32627678
[TBL] [Abstract][Full Text] [Related]
4. In silico analysis of marine natural product for protein arginine methyltransferase 5(PRMT5) inhibitors based on pharmacophore and molecular docking.
Luo L; Tan H; Liao Y
J Biomol Struct Dyn; 2023; 41(22):13180-13197. PubMed ID: 36856049
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. A Search for Cyclin-Dependent Kinase 4/6 Inhibitors by Pharmacophore-Based Virtual Screening, Molecular Docking, and Molecular Dynamic Simulations.
Susanti NMP; Damayanti S; Kartasasmita RE; Tjahjono DH
Int J Mol Sci; 2021 Dec; 22(24):. PubMed ID: 34948218
[TBL] [Abstract][Full Text] [Related]
7. Identification of Novel Src Inhibitors: Pharmacophore-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations.
Zhang Y; Zhang TJ; Tu S; Zhang ZH; Meng FH
Molecules; 2020 Sep; 25(18):. PubMed ID: 32911607
[TBL] [Abstract][Full Text] [Related]
8. TRAF6 Inhibitors from Marine Compound Library: Pharmacophore, Virtual Screening, Fragment Replacement, ADMET, and Molecular Dynamics.
Wu X; Zhong S; Zhou N; Luo L
Mar Drugs; 2024 Jun; 22(6):. PubMed ID: 38921571
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. Identification of PLK1-PBD Inhibitors from the Library of Marine Natural Products: 3D QSAR Pharmacophore, ADMET, Scaffold Hopping, Molecular Docking, and Molecular Dynamics Study.
Zhou N; Zheng C; Tan H; Luo L
Mar Drugs; 2024 Feb; 22(2):. PubMed ID: 38393054
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Proposing novel TNFα direct inhibitor Scaffolds using fragment-docking based e-pharmacophore modeling and binary QSAR-based virtual screening protocols pipeline.
Zaka M; Abbasi BH; Durdagi S
J Mol Graph Model; 2018 Oct; 85():111-121. PubMed ID: 30149308
[TBL] [Abstract][Full Text] [Related]
13. mPGES-1 Inhibitor Discovery Based on Computer-Aided Screening: Pharmacophore Models, Molecular Docking, ADMET, and MD Simulations.
Huang Q; Lai T; Wang Q; Luo L
Molecules; 2023 Aug; 28(16):. PubMed ID: 37630311
[TBL] [Abstract][Full Text] [Related]
14. Discovery of novel and selective CDK4/6 inhibitors by pharmacophore and structure-based virtual screening.
Yuan K; Min W; Wang X; Li J; Kuang W; Zhang F; Xie S; Yang P
Future Med Chem; 2020 Jun; 12(12):1121-1136. PubMed ID: 32400188
[No Abstract] [Full Text] [Related]
15. Virtual Screening for Identification of Dual Inhibitors against CDK4/6 and Aromatase Enzyme.
Adon T; Shanmugarajan D; Ather H; Ansari SMA; Hani U; Madhunapantula SV; Honnavalli YK
Molecules; 2023 Mar; 28(6):. PubMed ID: 36985460
[TBL] [Abstract][Full Text] [Related]
16. Quantitative structure activity relationship and molecular simulations for the exploration of natural potent VEGFR-2 inhibitors: an
Sharma N; Sharma M; Rahman QI; Akhtar S; Muddassir M
J Biomol Struct Dyn; 2021 May; 39(8):2806-2823. PubMed ID: 32363995
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Investigation of non-hydroxamate scaffolds against HDAC6 inhibition: A pharmacophore modeling, molecular docking, and molecular dynamics simulation approach.
Zeb A; Park C; Son M; Rampogu S; Alam SI; Park SJ; Lee KW
J Bioinform Comput Biol; 2018 Jun; 16(3):1840015. PubMed ID: 29945500
[TBL] [Abstract][Full Text] [Related]
19. Exploring Dual Agonists for PPARα/γ Receptors using Pharmacophore Modeling, Docking Analysis and Molecule Dynamics Simulation.
Ding TT; Liu YY; Zhang LM; Shi JR; Xu WR; Li SY; Cheng XC
Comb Chem High Throughput Screen; 2022; 25(9):1450-1461. PubMed ID: 34182904
[TBL] [Abstract][Full Text] [Related]
20. Structure-guided Design and Optimization of small Molecules as Pancreatic Lipase Inhibitors using Pharmacophore, 3D-QSAR, Molecular Docking, and Molecular Dynamics Simulation Studies.
Modanwal S; Mulpuru V; Mishra N
Curr Comput Aided Drug Des; 2023; 19(4):258-277. PubMed ID: 36597611
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
