142 related articles for article (PubMed ID: 36856049)
1. 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]
2. 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]
3. Pharmacophore-based virtual screening, molecular docking and molecular dynamics studies for the discovery of novel neuraminidase inhibitors.
Lotfi B; Mebarka O; Khan SU; Htar TT
J Biomol Struct Dyn; 2024 Jul; 42(10):5308-5320. PubMed ID: 37334701
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Structural Investigation of Vinca Domain Tubulin Binders by Pharmacophore, Atom based QSAR, Docking and Molecular Dynamics Simulations.
Athar M; Lone MY; Khedkar VM; Radadiya A; Shah A; Jha PC
Comb Chem High Throughput Screen; 2017; 20(8):682-695. PubMed ID: 28486912
[TBL] [Abstract][Full Text] [Related]
6. Pharmacophore-based virtual screening and
Roney M; Huq AKMM; Issahaku AR; Soliman MES; Hossain MS; Mustafa AH; Islam MA; Dubey A; Tufail A; Mohd Aluwi MFF; Tajuddin SN
J Biomol Struct Dyn; 2023; 41(21):12186-12203. PubMed ID: 36645141
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. 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]
9. 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]
10. Molecular dynamics simulation, 3D-pharmacophore and scaffold hopping analysis in the design of multi-target drugs to inhibit potential targets of COVID-19.
Fayyazi N; Mostashari-Rad T; Ghasemi JB; Ardakani MM; Kobarfard F
J Biomol Struct Dyn; 2022; 40(22):11787-11808. PubMed ID: 34405765
[TBL] [Abstract][Full Text] [Related]
11. Discovery of potential inhibitors for stat3: ligand based 3D pharmacophore, virtual screening, molecular docking, dynamic studies and
Lakshmanan K; T K P; K Pai SR; Rajagopal K; Byran G
J Biomol Struct Dyn; 2022; 40(21):11320-11338. PubMed ID: 34463213
[TBL] [Abstract][Full Text] [Related]
12. Insight parameter drug design for human β-tryptase inhibition integrated molecular docking, QSAR, molecular dynamics simulation, and pharmacophore modelling studies of α-keto-[1,2,4]-oxadiazoles.
Yu CX; Tan JW; Rullah K; Imran S; Tham CL
J Biomol Struct Dyn; 2023; 41(22):12978-12996. PubMed ID: 36709457
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. Identification of potential inhibitors for HCV NS5b of genotype 4a by combining dynamic simulation, protein-ligand interaction fingerprint, 3D pharmacophore, docking and 3D QSAR.
El-Hassab MAE; El-Bastawissy EE; El-Moselhy TF
J Biomol Struct Dyn; 2020 Sep; 38(15):4521-4535. PubMed ID: 31647392
[TBL] [Abstract][Full Text] [Related]
15. Structure based virtual screening, 3D-QSAR, molecular dynamics and ADMET studies for selection of natural inhibitors against structural and non-structural targets of Chikungunya.
Vora J; Patel S; Sinha S; Sharma S; Srivastava A; Chhabria M; Shrivastava N
J Biomol Struct Dyn; 2019 Aug; 37(12):3150-3161. PubMed ID: 30114965
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. Discovery of new potent protein arginine methyltransferase 5 (PRMT5) inhibitors by assembly of key pharmacophores from known inhibitors.
Zhu K; Song JL; Tao HR; Cheng ZQ; Jiang CS; Zhang H
Bioorg Med Chem Lett; 2018 Dec; 28(23-24):3693-3699. PubMed ID: 30366617
[TBL] [Abstract][Full Text] [Related]
18. Identification of a novel selective small-molecule inhibitor of protein arginine methyltransferase 5 (PRMT5) by virtual screening, resynthesis and biological evaluations.
Zhu K; Jiang C; Tao H; Liu J; Zhang H; Luo C
Bioorg Med Chem Lett; 2018 May; 28(9):1476-1483. PubMed ID: 29628326
[TBL] [Abstract][Full Text] [Related]
19. Pharmacophore modeling, molecular docking and molecular dynamics simulation for screening and identifying anti-dengue phytocompounds.
Vora J; Patel S; Athar M; Sinha S; Chhabria MT; Jha PC; Shrivastava N
J Biomol Struct Dyn; 2020 Apr; 38(6):1726-1740. PubMed ID: 31057055
[TBL] [Abstract][Full Text] [Related]
20. Identifying natural products for gastric cancer treatment through pharmacophore creation, 3D QSAR, virtual screening, and molecular dynamics studies.
Jalali Z; Nejad Ebrahimi S; Rezadoost H
Daru; 2023 Dec; 31(2):243-258. PubMed ID: 37733194
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
