118 related articles for article (PubMed ID: 36565483)
1. An in-silico pharmacophore-based molecular docking study to evaluate the inhibitory potentials of novel fungal triterpenoid Astrakurkurone analogues against a hypothetical mutated main protease of SARS-CoV-2 virus.
Nag A; Dasgupta A; Sengupta S; Lai TK; Acharya K
Comput Biol Med; 2023 Jan; 152():106433. PubMed ID: 36565483
[TBL] [Abstract][Full Text] [Related]
2.
Maurya AK; Mishra N
J Biomol Struct Dyn; 2021 Nov; 39(18):7306-7321. PubMed ID: 32835632
[TBL] [Abstract][Full Text] [Related]
3. Targeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants -
Shree P; Mishra P; Selvaraj C; Singh SK; Chaube R; Garg N; Tripathi YB
J Biomol Struct Dyn; 2022 Jan; 40(1):190-203. PubMed ID: 32851919
[TBL] [Abstract][Full Text] [Related]
4. An efficient eco-friendly, simple, and green synthesis of some new spiro-N-(4-sulfamoyl-phenyl)-1,3,4-thiadiazole-2-carboxamide derivatives as potential inhibitors of SARS-CoV-2 proteases: drug-likeness, pharmacophore, molecular docking, and DFT exploration.
El-Saghier AM; Enaili SS; Abdou A; Kadry AM
Mol Divers; 2024 Feb; 28(1):249-270. PubMed ID: 37946070
[TBL] [Abstract][Full Text] [Related]
5.
Kumar B; Parasuraman P; Murthy TPK; Murahari M; Chandramohan V
J Biomol Struct Dyn; 2022 Oct; 40(17):7796-7814. PubMed ID: 33759690
[TBL] [Abstract][Full Text] [Related]
6. Development of Effective Therapeutic Molecule from Natural Sources against Coronavirus Protease.
Fadaka AO; Sibuyi NRS; Martin DR; Klein A; Madiehe A; Meyer M
Int J Mol Sci; 2021 Aug; 22(17):. PubMed ID: 34502340
[TBL] [Abstract][Full Text] [Related]
7. Molecular insights to the binding interactions of APNS containing HIV-protease inhibitors against SARS-CoV-2 M
Purohit P; Dash JJ; Muya JT; Meher BR
J Biomol Struct Dyn; 2023 Jun; 41(9):3900-3913. PubMed ID: 35388744
[TBL] [Abstract][Full Text] [Related]
8. Natural inhibitors of SARS-CoV-2 main protease: structure based pharmacophore modeling, molecular docking and molecular dynamic simulation studies.
Halimi M; Bararpour P
J Mol Model; 2022 Aug; 28(9):279. PubMed ID: 36031629
[TBL] [Abstract][Full Text] [Related]
9. Establishing an Analogue Based In Silico Pipeline in the Pursuit of Novel Inhibitory Scaffolds against the SARS Coronavirus 2 Papain-Like Protease.
Hajbabaie R; Harper MT; Rahman T
Molecules; 2021 Feb; 26(4):. PubMed ID: 33672721
[TBL] [Abstract][Full Text] [Related]
10. Computational Screening Using a Combination of Ligand-Based Machine Learning and Molecular Docking Methods for the Repurposing of Antivirals Targeting the SARS-CoV-2 Main Protease.
Yuda GPWC; Hanif N; Hermawan A
Daru; 2024 Jun; 32(1):47-65. PubMed ID: 37907683
[TBL] [Abstract][Full Text] [Related]
11. Screening of potent phytochemical inhibitors against SARS-CoV-2 protease and its two Asian mutants.
Muhammad I; Rahman N; Gul-E-Nayab ; Niaz S; Basharat Z; Rastrelli L; Jayanthi S; Efferth T; Khan H
Comput Biol Med; 2021 Jun; 133():104362. PubMed ID: 33894500
[TBL] [Abstract][Full Text] [Related]
12. Screening of natural compounds from Cyperus rotundus Linn against SARS-CoV-2 main protease (M
Kumar SB; Krishna S; Pradeep S; Mathews DE; Pattabiraman R; Murahari M; Murthy TPK
Comput Biol Med; 2021 Jul; 134():104524. PubMed ID: 34090015
[TBL] [Abstract][Full Text] [Related]
13. Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy simulation study.
Ancy I; Sivanandam M; Kumaradhas P
J Biomol Struct Dyn; 2021 Sep; 39(15):5368-5375. PubMed ID: 32627689
[TBL] [Abstract][Full Text] [Related]
14. Pharmacophore based virtual screening, molecular docking, molecular dynamics and MM-GBSA approach for identification of prospective SARS-CoV-2 inhibitor from natural product databases.
Kumar BK; Faheem ; Sekhar KVGC; Ojha R; Prajapati VK; Pai A; Murugesan S
J Biomol Struct Dyn; 2022 Feb; 40(3):1363-1386. PubMed ID: 32981461
[TBL] [Abstract][Full Text] [Related]
15. In-Silico approach for identification of effective and stable inhibitors for COVID-19 main protease (M
Das P; Majumder R; Mandal M; Basak P
J Biomol Struct Dyn; 2021 Oct; 39(16):6265-6280. PubMed ID: 32705952
[TBL] [Abstract][Full Text] [Related]
16. Structure-activity relationship (SAR) and molecular dynamics study of withaferin-A fragment derivatives as potential therapeutic lead against main protease (M
Ghosh A; Chakraborty M; Chandra A; Alam MP
J Mol Model; 2021 Feb; 27(3):97. PubMed ID: 33641023
[TBL] [Abstract][Full Text] [Related]
17. Inhibitory potential of repurposed drugs against the SARS-CoV-2 main protease: a computational-aided approach.
Fadaka AO; Aruleba RT; Sibuyi NRS; Klein A; Madiehe AM; Meyer M
J Biomol Struct Dyn; 2022 May; 40(8):3416-3427. PubMed ID: 33200673
[TBL] [Abstract][Full Text] [Related]
18. Identification of Natural Inhibitors Against SARS-CoV-2 Drugable Targets Using Molecular Docking, Molecular Dynamics Simulation, and MM-PBSA Approach.
Kushwaha PP; Singh AK; Bansal T; Yadav A; Prajapati KS; Shuaib M; Kumar S
Front Cell Infect Microbiol; 2021; 11():730288. PubMed ID: 34458164
[TBL] [Abstract][Full Text] [Related]
19. Anthocyanin derivatives as potent inhibitors of SARS-CoV-2 main protease: An in-silico perspective of therapeutic targets against COVID-19 pandemic.
Fakhar Z; Faramarzi B; Pacifico S; Faramarzi S
J Biomol Struct Dyn; 2021 Oct; 39(16):6171-6183. PubMed ID: 32741312
[TBL] [Abstract][Full Text] [Related]
20. Insect protease inhibitors; promising inhibitory compounds against SARS-CoV-2 main protease.
Hemmati SA; Tabein S
Comput Biol Med; 2022 Mar; 142():105228. PubMed ID: 35051855
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
