151 related articles for article (PubMed ID: 32228162)
21. 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]
22. Identification of small molecule inhibitors of RAD52 for breast cancer therapy: in silico approach.
Kumar M; Dubey R; Kumar Shukla P; Dayal D; Kumar Chaubey K; Tsai LW; Kumar S
J Biomol Struct Dyn; 2024 Jun; 42(9):4605-4618. PubMed ID: 37288783
[TBL] [Abstract][Full Text] [Related]
23. 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]
24. Pharmacophore generation, atom-based 3D-QSAR and molecular dynamics simulation analyses of pyridine-3-carboxamide-6-yl-urea analogues as potential gyrase B inhibitors.
Azam MA; Thathan J
SAR QSAR Environ Res; 2017 Apr; 28(4):275-296. PubMed ID: 28399673
[TBL] [Abstract][Full Text] [Related]
25. Discovery of selective dengue virus inhibitors using combination of molecular fingerprint-based virtual screening protocols, structure-based pharmacophore model development, molecular dynamics simulations and in vitro studies.
Mirza SB; Lee RCH; Chu JJH; Salmas RE; Mavromoustakos T; Durdagi S
J Mol Graph Model; 2018 Jan; 79():88-102. PubMed ID: 29156382
[TBL] [Abstract][Full Text] [Related]
26. 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]
27. Identification of human tau-tubulin kinase 1 inhibitors: an integrated e-pharmacophore-based virtual screening and molecular dynamics simulation.
Jana S; Singh SK
J Biomol Struct Dyn; 2020 Feb; 38(3):886-900. PubMed ID: 30829560
[TBL] [Abstract][Full Text] [Related]
28. Ligand- and structure-based in silico studies to identify kinesin spindle protein (KSP) inhibitors as potential anticancer agents.
Balakumar C; Ramesh M; Tham CL; Khathi SP; Kozielski F; Srinivasulu C; Hampannavar GA; Sayyad N; Soliman ME; Karpoormath R
J Biomol Struct Dyn; 2018 Nov; 36(14):3687-3704. PubMed ID: 29064326
[TBL] [Abstract][Full Text] [Related]
29. 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]
30. 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]
31. 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]
32. Pharmacophore- based virtual screening, 3D- QSAR, molecular docking approach for identification of potential dipeptidyl peptidase IV inhibitors.
Shah BM; Modi P; Trivedi P
J Biomol Struct Dyn; 2021 Apr; 39(6):2021-2043. PubMed ID: 32242496
[TBL] [Abstract][Full Text] [Related]
33. Discovery of small molecules through pharmacophore modeling, docking and molecular dynamics simulation against
Saddala MS; Adi PJ
Heliyon; 2018 May; 4(5):e00612. PubMed ID: 29756074
[TBL] [Abstract][Full Text] [Related]
34. Pharmacophore model-based virtual screening, docking, biological evaluation and molecular dynamics simulations for inhibitors discovery against
Naz S; Farooq U; Khan S; Sarwar R; Mabkhot YN; Saeed M; Alsayari A; Muhsinah AB; Ul-Haq Z
J Biomol Struct Dyn; 2021 Feb; 39(2):610-620. PubMed ID: 31937192
[TBL] [Abstract][Full Text] [Related]
35. 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]
36. 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]
37. 3D-QSAR pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation toward identifying lead compounds for NS2B-NS3 protease inhibitors.
Luo PH; Zhang XR; Huang L; Yuan L; Zhou XZ; Gao X; Li LS
J Recept Signal Transduct Res; 2017 Oct; 37(5):481-492. PubMed ID: 28758854
[TBL] [Abstract][Full Text] [Related]
38. 3D QSAR, Docking, Molecular Dynamics Simulations and MM-GBSA studies of Extended Side Chain of the Antitubercular Drug (6S) 2-Nitro-6- {[4-(trifluoromethoxy) benzyl] oxy}-6,7-dihydro-5H-imidazo[2,1-b] [1,3] oxazine.
Chaudhari HK; Pahelkar A
Infect Disord Drug Targets; 2019; 19(2):145-166. PubMed ID: 30324898
[TBL] [Abstract][Full Text] [Related]
39. A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study.
Choubey SK; Jeyaraman J
J Mol Graph Model; 2016 Nov; 70():54-69. PubMed ID: 27668885
[TBL] [Abstract][Full Text] [Related]
40. Discover potential inhibitors for PFKFB3 using 3D-QSAR, virtual screening, molecular docking and molecular dynamics simulation.
Bao Y; Zhou L; Dai D; Zhu X; Hu Y; Qiu Y
J Recept Signal Transduct Res; 2018; 38(5-6):413-431. PubMed ID: 30822195
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]