189 related articles for article (PubMed ID: 33155526)
1. 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]
2. 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]
3. Targeting the NF-κB/IκBα complex via fragment-based E-Pharmacophore virtual screening and binary QSAR models.
Kanan T; Kanan D; Erol I; Yazdi S; Stein M; Durdagi S
J Mol Graph Model; 2019 Jan; 86():264-277. PubMed ID: 30415122
[TBL] [Abstract][Full Text] [Related]
4. Discovery of novel VEGFR2-TK inhibitors by phthalimide pharmacophore based virtual screening, molecular docking, MD simulation and DFT.
Matore BW; Roy PP; Singh J
J Biomol Struct Dyn; 2023; 41(22):13056-13077. PubMed ID: 36775656
[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. 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]
7. Discovery of potential Aurora-A kinase inhibitors by 3D QSAR pharmacophore modeling, virtual screening, docking, and MD simulation studies.
Swamy P M G; Abbas N; Dhiwar PS; Singh E; Ghara A; Das A
J Biomol Struct Dyn; 2023 Jan; 41(1):125-146. PubMed ID: 34809538
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Exploration of New and Potent Lead Molecules Against CAAX Prenyl Protease I of Leishmania donovani Through Pharmacophore Based Virtual Screening Approach.
Prabhu SV; Tiwari K; Suryanarayanan V; Dubey VK; Singh SK
Comb Chem High Throughput Screen; 2017; 20(3):255-271. PubMed ID: 28116998
[TBL] [Abstract][Full Text] [Related]
10. 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]
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. 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]
13. 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]
14. Multiple e-pharmacophore modelling pooled with high-throughput virtual screening, docking and molecular dynamics simulations to discover potential inhibitors of Plasmodium falciparum lactate dehydrogenase (PfLDH).
Saxena S; Durgam L; Guruprasad L
J Biomol Struct Dyn; 2019 Apr; 37(7):1783-1799. PubMed ID: 29718775
[TBL] [Abstract][Full Text] [Related]
15. Insights of structure-based pharmacophore studies and inhibitor design against Gal3 receptor through molecular dynamics simulations.
Seshan G; Kanagasabai S; Ananthasri S; Kannappan B; Suvitha A; Jaimohan SM; Kanagaraj S; Kothandan G
J Biomol Struct Dyn; 2021 Nov; 39(18):6987-6999. PubMed ID: 32772816
[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. Integrated support vector machine and pharmacophore based virtual screening driven identification of thiophene carboxamide scaffold containing compound as potential PARP1 inhibitor.
Singh M; Rajawat J; Kuldeep J; Shukla N; Mishra DP; Siddiqi MI
J Biomol Struct Dyn; 2022 Nov; 40(18):8494-8507. PubMed ID: 33950778
[TBL] [Abstract][Full Text] [Related]
18. Discovery of promising FtsZ inhibitors by E-pharmacophore, 3D-QSAR, molecular docking study, and molecular dynamics simulation.
Qiu Y; Zhou L; Hu Y; Bao Y
J Recept Signal Transduct Res; 2019 Apr; 39(2):154-166. PubMed ID: 31355691
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. 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]
[Next] [New Search]
