176 related articles for article (PubMed ID: 35543232)
21. 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]
22. Structure-based pharmacophore mapping and virtual screening of natural products to identify polypharmacological inhibitor against c-MET/EGFR/VEGFR-2.
Varma DA; Singh M; Wakode S; Dinesh NE; Vinaik S; Asthana S; Tiwari M
J Biomol Struct Dyn; 2023 Apr; 41(7):2956-2970. PubMed ID: 35196966
[TBL] [Abstract][Full Text] [Related]
23. 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]
24. Identification of novel human nicotinamide N-methyltransferase inhibitors: a structure-based pharmacophore modeling and molecular dynamics approach.
Harikrishna AS; Venkitasamy K
J Biomol Struct Dyn; 2023; 41(24):14638-14650. PubMed ID: 36856058
[TBL] [Abstract][Full Text] [Related]
25. 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]
26. 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]
27. 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]
28. 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]
29. Investigation of non-hydroxamate scaffolds against HDAC6 inhibition: A pharmacophore modeling, molecular docking, and molecular dynamics simulation approach.
Zeb A; Park C; Son M; Rampogu S; Alam SI; Park SJ; Lee KW
J Bioinform Comput Biol; 2018 Jun; 16(3):1840015. PubMed ID: 29945500
[TBL] [Abstract][Full Text] [Related]
30. Targeting natural compounds against HER2 kinase domain as potential anticancer drugs applying pharmacophore based molecular modelling approaches.
Rampogu S; Son M; Baek A; Park C; Rana RM; Zeb A; Parameswaran S; Lee KW
Comput Biol Chem; 2018 Jun; 74():327-338. PubMed ID: 29702367
[TBL] [Abstract][Full Text] [Related]
31. 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]
32. In Silico Study Identified Methotrexate Analog as Potential Inhibitor of Drug Resistant Human Dihydrofolate Reductase for Cancer Therapeutics.
Rana RM; Rampogu S; Abid NB; Zeb A; Parate S; Lee G; Yoon S; Kim Y; Kim D; Lee KW
Molecules; 2020 Jul; 25(15):. PubMed ID: 32752079
[TBL] [Abstract][Full Text] [Related]
33. 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]
34. Discovery of novel PARP-1 inhibitors using tandem
Bhatnagar A; Nath V; Kumar N; Kumar V
J Biomol Struct Dyn; 2024 Apr; 42(7):3396-3409. PubMed ID: 37216358
[TBL] [Abstract][Full Text] [Related]
35. Ligand based 3D-QSAR model, pharmacophore, molecular docking and ADME to identify potential fibroblast growth factor receptor 1 inhibitors.
Huang L; Wu X; Fu X; Wang H; Tang B; Xiao Y; Zhou C; Zhao Z; Wan Y; Chen H; Tang Z; Yao H; Shan Z; Bu T
J Biomol Struct Dyn; 2022 Oct; 40(16):7584-7597. PubMed ID: 33734039
[TBL] [Abstract][Full Text] [Related]
36. 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]
37. 3D QSAR pharmacophore-based virtual screening for the identification of potential inhibitors of tyrosinase.
Ghayas S; Ali Masood M; Parveen R; Aquib M; Farooq MA; Banerjee P; Sambhare S; Bavi R
J Biomol Struct Dyn; 2020 Jul; 38(10):2916-2927. PubMed ID: 31334690
[TBL] [Abstract][Full Text] [Related]
38. Flexi-pharma: a molecule-ranking strategy for virtual screening using pharmacophores from ligand-free conformational ensembles.
Lans I; Palacio-RodrÃguez K; Cavasotto CN; Cossio P
J Comput Aided Mol Des; 2020 Oct; 34(10):1063-1077. PubMed ID: 32656619
[TBL] [Abstract][Full Text] [Related]
39. 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]
40. 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]
[Previous] [Next] [New Search]
