250 related articles for article (PubMed ID: 36709457)
1. 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]
2. Pharmacophore generation, atom-based 3D-QSAR, molecular docking and molecular dynamics simulation studies on benzamide analogues as FtsZ inhibitors.
Tripathy S; Azam MA; Jupudi S; Sahu SK
J Biomol Struct Dyn; 2018 Sep; 36(12):3218-3230. PubMed ID: 28938860
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. 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]
5. 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]
6. Stepwise development of structure-activity relationship of diverse PARP-1 inhibitors through comparative and validated in silico modeling techniques and molecular dynamics simulation.
Halder AK; Saha A; Saha KD; Jha T
J Biomol Struct Dyn; 2015; 33(8):1756-79. PubMed ID: 25350685
[TBL] [Abstract][Full Text] [Related]
7. Identification of novel pyrazole containing ɑ-glucosidase inhibitors: insight into pharmacophore, 3D-QSAR, virtual screening, and molecular dynamics study.
Firdaus JU; Siddiqui N; Alam O; Manaithiya A; Chandra K
J Biomol Struct Dyn; 2023 Nov; 41(19):9398-9423. PubMed ID: 36376021
[TBL] [Abstract][Full Text] [Related]
8. Screening of inhibitors as potential remedial against Ebolavirus infection: pharmacophore-based approach.
Sankar M; K L; Jeyachandran S; Pandi B
J Biomol Struct Dyn; 2021 Feb; 39(2):395-408. PubMed ID: 31928158
[TBL] [Abstract][Full Text] [Related]
9. A combination of pharmacophore modeling, atom-based 3D-QSAR, molecular docking and molecular dynamics simulation studies on PDE4 enzyme inhibitors.
Tripuraneni NS; Azam MA
J Biomol Struct Dyn; 2016 Nov; 34(11):2481-92. PubMed ID: 26587754
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. Pharmacophore-guided fragment-based design of novel mammalian target of rapamycin inhibitors: extra precision docking, fingerprint-based 2D and atom-based 3D-QSAR modelling.
Kumar A; Rai S; Rathi E; Agarwal P; Kini SG
J Biomol Struct Dyn; 2021 Mar; 39(4):1155-1173. PubMed ID: 32037974
[TBL] [Abstract][Full Text] [Related]
12. 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]
13.
Akabli T; Toufik H; Lamchouri F
J Biomol Struct Dyn; 2022 Jun; 40(9):3965-3978. PubMed ID: 33252029
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. Ligand-based pharmacophore modelling and virtual screening for the identification of amyloid-beta diagnostic molecules.
Marondedze EF; Govender KK; Govender PP
J Mol Graph Model; 2020 Dec; 101():107711. PubMed ID: 32898834
[TBL] [Abstract][Full Text] [Related]
16. An insight into selective and potent inhibition of histone deacetylase 8 through induced-fit docking, pharmacophore modeling and QSAR studies.
Kashyap K; Kakkar R
J Biomol Struct Dyn; 2020 Jan; 38(1):48-65. PubMed ID: 30633630
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Molecular modelling studies on adamantane-based Ebola virus GP-1 inhibitors using docking, pharmacophore and 3D-QSAR.
Mali SN; Chaudhari HK
SAR QSAR Environ Res; 2019 Mar; 30(3):161-180. PubMed ID: 30786763
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. 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]
[Next] [New Search]
