1226 related articles for article (PubMed ID: 28116998)
21. Pharmacophore modeling coupled with molecular dynamic simulation approach to identify new leads for meprin-β metalloprotease.
Chaudhuri A; Hudait N; Chakraborty SS
Comput Biol Chem; 2019 Jun; 80():292-306. PubMed ID: 31054542
[TBL] [Abstract][Full Text] [Related]
22. A leishmaniasis study: structure-based screening and molecular dynamics mechanistic analysis for discovering potent inhibitors of spermidine synthase.
Grover A; Katiyar SP; Singh SK; Dubey VK; Sundar D
Biochim Biophys Acta; 2012 Dec; 1824(12):1476-83. PubMed ID: 22684087
[TBL] [Abstract][Full Text] [Related]
23. Virtual Screening of Novel Glucosamine-6-Phosphate Synthase Inhibitors.
Lather A; Sharma S; Khatkar A
Comb Chem High Throughput Screen; 2018; 21(3):182-193. PubMed ID: 29600755
[TBL] [Abstract][Full Text] [Related]
24. Pharmacophore development, drug-likeness analysis, molecular docking, and molecular dynamics simulations for identification of new CK2 inhibitors.
Hammad S; Bouaziz-Terrachet S; Meghnem R; Meziane D
J Mol Model; 2020 May; 26(6):160. PubMed ID: 32472293
[TBL] [Abstract][Full Text] [Related]
25. 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]
26. Discovery of novel inhibitors of Mycobacterium tuberculosis MurG: homology modelling, structure based pharmacophore, molecular docking, and molecular dynamics simulations.
Saxena S; Abdullah M; Sriram D; Guruprasad L
J Biomol Struct Dyn; 2018 Sep; 36(12):3184-3198. PubMed ID: 28948866
[TBL] [Abstract][Full Text] [Related]
27. Screening of Novel Inhibitors Against Leishmania donovani Calcium ion Channel to Fight Leishmaniasis.
Kashif M; Manna PP; Akhter Y; Alaidarous M; Rub A
Infect Disord Drug Targets; 2017; 17(2):120-129. PubMed ID: 28034363
[TBL] [Abstract][Full Text] [Related]
28. Identification of Selective Inhibitors of
Sharma VK; Bharatam PV
J Comput Biol; 2021 Jan; 28(1):43-59. PubMed ID: 32207987
[TBL] [Abstract][Full Text] [Related]
29. A novel identification approach for discovery of 5-HydroxyTriptamine 2A antagonists: combination of 2D/3D similarity screening, molecular docking and molecular dynamics.
Kumar R; Jade D; Gupta D
J Biomol Struct Dyn; 2019 Mar; 37(4):931-943. PubMed ID: 29468945
[TBL] [Abstract][Full Text] [Related]
30. 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]
31. Febrifugine analogues as Leishmania donovani trypanothione reductase inhibitors: binding energy analysis assisted by molecular docking, ADMET and molecular dynamics simulation.
Pandey RK; Kumbhar BV; Srivastava S; Malik R; Sundar S; Kunwar A; Prajapati VK
J Biomol Struct Dyn; 2017 Jan; 35(1):141-158. PubMed ID: 27043972
[TBL] [Abstract][Full Text] [Related]
32. Pharmacophore and Docking Guided Virtual Screening Study for Discovery of Type I Inhibitors of VEGFR-2 Kinase.
Bhojwani HR; Joshi UJ
Curr Comput Aided Drug Des; 2017; 13(3):186-207. PubMed ID: 27981900
[TBL] [Abstract][Full Text] [Related]
33. Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations.
Liu YY; Feng XY; Jia WQ; Jing Z; Xu WR; Cheng XC
Comput Biol Chem; 2019 Feb; 78():190-204. PubMed ID: 30557817
[TBL] [Abstract][Full Text] [Related]
34. 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]
35. Identification of novel leads as potent inhibitors of HDAC3 using ligand-based pharmacophore modeling and MD simulation.
Kumbhar N; Nimal S; Barale S; Kamble S; Bavi R; Sonawane K; Gacche R
Sci Rep; 2022 Feb; 12(1):1712. PubMed ID: 35110603
[TBL] [Abstract][Full Text] [Related]
36. 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]
37. Identification of InhA inhibitors: A combination of virtual screening, molecular dynamics simulations and quantum chemical studies.
Lone MY; Manhas A; Athar M; Jha PC
J Biomol Struct Dyn; 2018 Aug; 36(11):2951-2965. PubMed ID: 28849732
[TBL] [Abstract][Full Text] [Related]
38. Investigation of novel ligand targeting bromodomain-containing protein 4 (BRD4) for cancer drug discovery: complete pharmacophore approach.
Shanmugam V; Muthukrishnan S
J Biomol Struct Dyn; 2023; 41(23):14524-14539. PubMed ID: 36841551
[TBL] [Abstract][Full Text] [Related]
39. Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches.
Rehman HM; Sajjad M; Ali MA; Gul R; Naveed M; Aslam MS; Shinwari K; Bhinder MA; Ghani MU; Saleem M; Rather MA; Ahmad I; Amin A
Int J Biol Macromol; 2023 May; 237():124169. PubMed ID: 36990409
[TBL] [Abstract][Full Text] [Related]
40. Pharmacophore feature prediction and molecular docking approach to identify novel anti-HCV protease inhibitors.
Venkatesan A; Rambabu M; Jayanthi S; Febin Prabhu Dass J
J Cell Biochem; 2018 Jan; 119(1):960-966. PubMed ID: 28691304
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]