907 related articles for article (PubMed ID: 33715595)
1. Black tea bioactives as inhibitors of multiple targets of SARS-CoV-2 (3CLpro, PLpro and RdRp): a virtual screening and molecular dynamic simulation study.
Gogoi M; Borkotoky M; Borchetia S; Chowdhury P; Mahanta S; Barooah AK
J Biomol Struct Dyn; 2022 Sep; 40(15):7143-7166. PubMed ID: 33715595
[TBL] [Abstract][Full Text] [Related]
2. Identification of FDA approved drugs against SARS-CoV-2 RNA dependent RNA polymerase (RdRp) and 3-chymotrypsin-like protease (3CLpro), drug repurposing approach.
Molavi Z; Razi S; Mirmotalebisohi SA; Adibi A; Sameni M; Karami F; Niazi V; Niknam Z; Aliashrafi M; Taheri M; Ghafouri-Fard S; Jeibouei S; Mahdian S; Zali H; Ranjbar MM; Yazdani M
Biomed Pharmacother; 2021 Jun; 138():111544. PubMed ID: 34311539
[TBL] [Abstract][Full Text] [Related]
3. Plant-derived natural polyphenols as potential antiviral drugs against SARS-CoV-2
Singh S; Sk MF; Sonawane A; Kar P; Sadhukhan S
J Biomol Struct Dyn; 2021 Oct; 39(16):6249-6264. PubMed ID: 32720577
[TBL] [Abstract][Full Text] [Related]
4. Strategic analyses to identify key structural features of antiviral/antimalarial compounds for their binding interactions with 3CLpro, PLpro and RdRp of SARS-CoV-2:
Dhote AM; Patil VR; Lokwani DK; Amnerkar ND; Ugale VG; Charbe NB; Bhongade BA; Khadse SC
J Biomol Struct Dyn; 2022; 40(22):11914-11931. PubMed ID: 34431452
[TBL] [Abstract][Full Text] [Related]
5. Tomatidine and Patchouli Alcohol as Inhibitors of SARS-CoV-2 Enzymes (3CLpro, PLpro and NSP15) by Molecular Docking and Molecular Dynamics Simulations.
Zrieq R; Ahmad I; Snoussi M; Noumi E; Iriti M; Algahtani FD; Patel H; Saeed M; Tasleem M; Sulaiman S; Aouadi K; Kadri A
Int J Mol Sci; 2021 Oct; 22(19):. PubMed ID: 34639036
[TBL] [Abstract][Full Text] [Related]
6. Identification of structural scaffold from interbioscreen (IBS) database to inhibit 3CLpro, PLpro, and RdRp of SARS-CoV-2 using molecular docking and dynamic simulation studies.
Patil VR; Dhote AM; Patil R; Amnerkar ND; Lokwani DK; Ugale VG; Charbe NB; Firke SD; Chaudhari P; Shah SK; Mehta CH; Nayak UY; Khadse SC
J Biomol Struct Dyn; 2023; 41(22):13168-13179. PubMed ID: 36757134
[TBL] [Abstract][Full Text] [Related]
7. Identification of potential plant-based inhibitor against viral proteases of SARS-CoV-2 through molecular docking, MM-PBSA binding energy calculations and molecular dynamics simulation.
Gogoi B; Chowdhury P; Goswami N; Gogoi N; Naiya T; Chetia P; Mahanta S; Chetia D; Tanti B; Borah P; Handique PJ
Mol Divers; 2021 Aug; 25(3):1963-1977. PubMed ID: 33856591
[TBL] [Abstract][Full Text] [Related]
8. SARS-CoV-2 proteases Mpro and PLpro: Design of inhibitors with predicted high potency and low mammalian toxicity using artificial neural networks, ligand-protein docking, molecular dynamics simulations, and ADMET calculations.
Tumskiy RS; Tumskaia AV; Klochkova IN; Richardson RJ
Comput Biol Med; 2023 Feb; 153():106449. PubMed ID: 36586228
[TBL] [Abstract][Full Text] [Related]
9. Screening of phytochemicals as potent inhibitor of 3-chymotrypsin and papain-like proteases of SARS-CoV2: an in silico approach to combat COVID-19.
Swargiary A; Mahmud S; Saleh MA
J Biomol Struct Dyn; 2022 Mar; 40(5):2067-2081. PubMed ID: 33089730
[TBL] [Abstract][Full Text] [Related]
10. Pharmacophore screening to identify natural origin compounds to target RNA-dependent RNA polymerase (RdRp) of SARS-CoV2.
Mishra A; Rathore AS
Mol Divers; 2022 Oct; 26(5):2613-2629. PubMed ID: 35000060
[TBL] [Abstract][Full Text] [Related]
11. Theaflavin-3'-O-gallate a Black-tea Constituent Blocked SARS CoV-2 RNA dependant RNA Polymerase Active-site with Better Docking Results than Remdesivir.
Banerjee A; Kanwar M; Maiti S
Drug Res (Stuttg); 2021 Oct; 71(8):462-472. PubMed ID: 34517419
[TBL] [Abstract][Full Text] [Related]
12. A molecular docking study of EGCG and theaflavin digallate with the druggable targets of SARS-CoV-2.
Mhatre S; Naik S; Patravale V
Comput Biol Med; 2021 Feb; 129():104137. PubMed ID: 33302163
[TBL] [Abstract][Full Text] [Related]
13. Targeting the 3CLpro and RdRp of SARS-CoV-2 with phytochemicals from medicinal plants of the Andean Region: molecular docking and molecular dynamics simulations.
Mosquera-Yuqui F; Lopez-Guerra N; Moncayo-Palacio EA
J Biomol Struct Dyn; 2022 Mar; 40(5):2010-2023. PubMed ID: 33084512
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. Theaflavin 3-gallate inhibits the main protease (M
Chauhan M; Bhardwaj VK; Kumar A; Kumar V; Kumar P; Enayathullah MG; Thomas J; George J; Kumar BK; Purohit R; Kumar A; Kumar S
Sci Rep; 2022 Jul; 12(1):13146. PubMed ID: 35908093
[TBL] [Abstract][Full Text] [Related]
16. Identifying non-nucleoside inhibitors of RNA-dependent RNA-polymerase of SARS-CoV-2 through per-residue energy decomposition-based pharmacophore modeling, molecular docking, and molecular dynamics simulation.
Aziz S; Waqas M; Mohanta TK; Halim SA; Iqbal A; Ali A; Khalid A; Abdalla AN; Khan A; Al-Harrasi A
J Infect Public Health; 2023 Apr; 16(4):501-519. PubMed ID: 36801630
[TBL] [Abstract][Full Text] [Related]
17. Deciphering the Potential of Pre and Pro-Vitamin D of Mushrooms against Mpro and PLpro Proteases of COVID-19: An In Silico Approach.
Tiwari A; Singh G; Choudhir G; Motiwale M; Joshi N; Sharma V; Srivastava RK; Sharma S; Tutone M; Singour PK
Molecules; 2022 Aug; 27(17):. PubMed ID: 36080385
[TBL] [Abstract][Full Text] [Related]
18. Virtual screening of phytochemicals by targeting multiple proteins of severe acute respiratory syndrome coronavirus 2: Molecular docking and molecular dynamics simulation studies.
Azeem M; Mustafa G; Mahrosh HS
Int J Immunopathol Pharmacol; 2022; 36():3946320221142793. PubMed ID: 36442514
[TBL] [Abstract][Full Text] [Related]
19. Is oseltamivir suitable for fighting against COVID-19: In silico assessment, in vitro and retrospective study.
Tan Q; Duan L; Ma Y; Wu F; Huang Q; Mao K; Xiao W; Xia H; Zhang S; Zhou E; Ma P; Song S; Li Y; Zhao Z; Sun Y; Li Z; Geng W; Yin Z; Jin Y
Bioorg Chem; 2020 Nov; 104():104257. PubMed ID: 32927129
[TBL] [Abstract][Full Text] [Related]
20. In silico analysis and identification of antiviral coumarin derivatives against 3-chymotrypsin-like main protease of the novel coronavirus SARS-CoV-2.
Abdizadeh R; Hadizadeh F; Abdizadeh T
Mol Divers; 2022 Apr; 26(2):1053-1076. PubMed ID: 34213728
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]