269 related articles for article (PubMed ID: 37946070)
1. 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]
2.
Maurya AK; Mishra N
J Biomol Struct Dyn; 2021 Nov; 39(18):7306-7321. PubMed ID: 32835632
[TBL] [Abstract][Full Text] [Related]
3. Evaluation of apigenin-based biflavonoid derivatives as potential therapeutic agents against viral protease (3CLpro) of SARS-CoV-2 via molecular docking, molecular dynamics and quantum mechanics studies.
Abdizadeh R; Hadizadeh F; Abdizadeh T
J Biomol Struct Dyn; 2023; 41(13):5915-5945. PubMed ID: 35848354
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Amentoflavone derivatives significantly act towards the main protease (3CL
Dey D; Hossain R; Biswas P; Paul P; Islam MA; Ema TI; Gain BK; Hasan MM; Bibi S; Islam MT; Rahman MA; Kim B
Mol Divers; 2023 Apr; 27(2):857-871. PubMed ID: 35639226
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Exploration of Anti-HIV Phytocompounds against SARS-CoV-2 Main Protease: Structure-Based Screening, Molecular Simulation, ADME Analysis and Conceptual DFT Studies.
Murali M; Gowtham HG; Shilpa N; Krishnappa HKN; Ledesma AE; Jain AS; Shati AA; Alfaifi MY; Elbehairi SEI; Achar RR; Silina E; Stupin V; Ortega-Castro J; Frau J; Flores-HolguĂn N; Amruthesh KN; Shivamallu C; Kollur SP; Glossman-Mitnik D
Molecules; 2022 Nov; 27(23):. PubMed ID: 36500380
[TBL] [Abstract][Full Text] [Related]
8. Insight into crystal structures and identification of potential styrylthieno[2,3-
El Bakri Y; Ahmad B; Saravanan K; Ahmad I; Bakhite EA; Younis O; Al-Waleedy SAH; Ibrahim OF; Nafady A; Mague JT; Mohamed SK
J Biomol Struct Dyn; 2024 May; 42(8):4325-4343. PubMed ID: 37318002
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. Synthesis, molecular docking analysis, molecular dynamic simulation, ADMET, DFT, and drug likeness studies: Novel Indeno[1,2-b]pyrrol-4(1H)-one as SARS-CoV-2 main protease inhibitors.
Gheidari D; Mehrdad M; Bayat M
PLoS One; 2024; 19(3):e0299301. PubMed ID: 38517870
[TBL] [Abstract][Full Text] [Related]
11. Discovery, synthesis and
Saravana Mani K; Rajamanikandan S; Prabha B
J Biomol Struct Dyn; 2023; 41(22):13454-13465. PubMed ID: 36744520
[TBL] [Abstract][Full Text] [Related]
12. Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors - an
Ghosh R; Chakraborty A; Biswas A; Chowdhuri S
J Biomol Struct Dyn; 2021 Aug; 39(12):4362-4374. PubMed ID: 32568613
[TBL] [Abstract][Full Text] [Related]
13. Identification of potent COVID-19 main protease inhibitors by loading of favipiravir on Mg
Al-Shuaeeb RAA; Abd El-Mageed HR; Ahmed SA; Mohamed HS; Hamza ZS; Rafi MO; Rahman MS
J Biomol Struct Dyn; 2023; 41(21):11437-11449. PubMed ID: 36591698
[TBL] [Abstract][Full Text] [Related]
14. Synthesis, molecular docking and dynamics studies of pyridazino[4,5-
Moghimi P; Sabet-Sarvestani H; Shiri A
J Biomol Struct Dyn; 2023; 41(22):13198-13210. PubMed ID: 36951505
[TBL] [Abstract][Full Text] [Related]
15. In silico identification of potential inhibitors of key SARS-CoV-2 3CL hydrolase (Mpro) via molecular docking, MMGBSA predictive binding energy calculations, and molecular dynamics simulation.
Choudhary MI; Shaikh M; Tul-Wahab A; Ur-Rahman A
PLoS One; 2020; 15(7):e0235030. PubMed ID: 32706783
[TBL] [Abstract][Full Text] [Related]
16. A molecular modelling approach for identifying antiviral selenium-containing heterocyclic compounds that inhibit the main protease of SARS-CoV-2: an in silico investigation.
Rakib A; Nain Z; Sami SA; Mahmud S; Islam A; Ahmed S; Siddiqui ABF; Babu SMOF; Hossain P; Shahriar A; Nainu F; Emran TB; Simal-Gandara J
Brief Bioinform; 2021 Mar; 22(2):1476-1498. PubMed ID: 33623995
[TBL] [Abstract][Full Text] [Related]
17. Virtual screening and structure-based 3D pharmacophore approach to identify small-molecule inhibitors of SARS-CoV-2 M
Elseginy SA
J Biomol Struct Dyn; 2022; 40(24):13658-13674. PubMed ID: 34676801
[TBL] [Abstract][Full Text] [Related]
18.
Alesawy MS; Elkaeed EB; Alsfouk AA; Metwaly AM; Eissa IH
Molecules; 2021 Oct; 26(21):. PubMed ID: 34771004
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. 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]
[Next] [New Search]