922 related articles for article (PubMed ID: 35384056)
21. Deciphering inhibitory activity of marine algae Ecklonia cava phlorotannins against SARS CoV-2 main protease: A coupled in-silico docking and molecular dynamics simulation study.
Chakraborty A; Ghosh R; Barik S; Mohapatra SS; Biswas A; Chowdhuri S
Gene; 2024 Oct; 926():148620. PubMed ID: 38821329
[TBL] [Abstract][Full Text] [Related]
22. 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]
23. 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]
24. Cheminformatics-Based Identification of Potential Novel Anti-SARS-CoV-2 Natural Compounds of African Origin.
Kwofie SK; Broni E; Asiedu SO; Kwarko GB; Dankwa B; Enninful KS; Tiburu EK; Wilson MD
Molecules; 2021 Jan; 26(2):. PubMed ID: 33466743
[TBL] [Abstract][Full Text] [Related]
25. Repurposing immune boosting and anti-viral efficacy of
Dinata R; Nisa N; Arati C; Rasmita B; Uditraj C; Siddhartha R; Bhanushree B; Saeed-Ahmed L; Manikandan B; Bidanchi RM; Abinash G; Pori B; Khushboo M; Roy VK; Gurusubramanian G
J Biomol Struct Dyn; 2024; 42(1):43-81. PubMed ID: 37021347
[TBL] [Abstract][Full Text] [Related]
26. Computational repurposing approach for targeting the critical spike mutations in B.1.617.2 (delta), AY.1 (delta plus) and C.37 (lambda) SARS-CoV-2 variants using exhaustive structure-based virtual screening, molecular dynamic simulations and MM-PBSA methods.
Ebrahimi M; Karami L; Alijanianzadeh M
Comput Biol Med; 2022 Aug; 147():105709. PubMed ID: 35728285
[TBL] [Abstract][Full Text] [Related]
27. Computational investigation of benzalacetophenone derivatives against SARS-CoV-2 as potential multi-target bioactive compounds.
Khanal P; Patil VS; Bhandare VV; Dwivedi PSR; Shastry CS; Patil BM; Gurav SS; Harish DR; Roy S
Comput Biol Med; 2022 Jul; 146():105668. PubMed ID: 35667894
[TBL] [Abstract][Full Text] [Related]
28. Finding potent inhibitors against SARS-CoV-2 main protease through virtual screening, ADMET, and molecular dynamics simulation studies.
Roy R; Sk MF; Jonniya NA; Poddar S; Kar P
J Biomol Struct Dyn; 2022 Sep; 40(14):6556-6568. PubMed ID: 33682642
[TBL] [Abstract][Full Text] [Related]
29. Identification of polyphenols from
Ghosh R; Chakraborty A; Biswas A; Chowdhuri S
J Biomol Struct Dyn; 2021 Oct; 39(17):6747-6760. PubMed ID: 32762411
[TBL] [Abstract][Full Text] [Related]
30. Anti-HIV-drug and phyto-flavonoid combination against SARS-CoV-2: a molecular docking-simulation base assessment.
Swain SS; Singh SR; Sahoo A; Hussain T; Pati S
J Biomol Struct Dyn; 2022 Sep; 40(14):6463-6476. PubMed ID: 33583350
[TBL] [Abstract][Full Text] [Related]
31. Binding and inhibitory effect of ravidasvir on 3CL
Bera K
J Biomol Struct Dyn; 2022 Oct; 40(16):7303-7310. PubMed ID: 33682639
[TBL] [Abstract][Full Text] [Related]
32. In silico evaluation of Philippine Natural Products against SARS-CoV-2 Main Protease.
Cheng AJT; Macalino SJY; Billones JB; Balolong MP; Murao LAE; Carrillo MCO
J Mol Model; 2022 Oct; 28(11):345. PubMed ID: 36205801
[TBL] [Abstract][Full Text] [Related]
33. 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]
34. Molecular docking, binding mode analysis, molecular dynamics, and prediction of ADMET/toxicity properties of selective potential antiviral agents against SARS-CoV-2 main protease: an effort toward drug repurposing to combat COVID-19.
Rai H; Barik A; Singh YP; Suresh A; Singh L; Singh G; Nayak UY; Dubey VK; Modi G
Mol Divers; 2021 Aug; 25(3):1905-1927. PubMed ID: 33582935
[TBL] [Abstract][Full Text] [Related]
35. Evaluation of phytoconstituents of
Choudhary P; Singh T; Amod A; Singh S
J Biomol Struct Dyn; 2023 Jun; 41(9):4106-4123. PubMed ID: 35467486
[TBL] [Abstract][Full Text] [Related]
36. In silico screening of potential inhibitors from Cordyceps species against SARS-CoV-2 main protease.
Deshmukh N; Talkal R; Lakshmi B
J Biomol Struct Dyn; 2024 Jun; 42(9):4395-4411. PubMed ID: 37325819
[TBL] [Abstract][Full Text] [Related]
37. 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]
38. An
Clemente CM; Freiberger MI; Ravetti S; Beltramo DM; Garro AG
J Biomol Struct Dyn; 2022 Aug; 40(12):5653-5664. PubMed ID: 33459192
[TBL] [Abstract][Full Text] [Related]
39. 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]
40. Marine Brominated Tyrosine Alkaloids as Promising Inhibitors of SARS-CoV-2.
El-Demerdash A; Hassan A; Abd El-Aziz TM; Stockand JD; Arafa RK
Molecules; 2021 Oct; 26(20):. PubMed ID: 34684755
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
