These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
189 related articles for article (PubMed ID: 33397209)
1. Molecular mechanism of inhibition of COVID-19 main protease by β-adrenoceptor agonists and adenosine deaminase inhibitors using Venugopal PP; Chakraborty D J Biomol Struct Dyn; 2022 Jul; 40(11):5112-5127. PubMed ID: 33397209 [TBL] [Abstract][Full Text] [Related]
2. Repurposing simeprevir, calpain inhibitor IV and a cathepsin F inhibitor against SARS-CoV-2 and insights into their interactions with M J A; Francis D; C S S; K G A; C S; Variyar EJ J Biomol Struct Dyn; 2022 Jan; 40(1):325-336. PubMed ID: 32873185 [TBL] [Abstract][Full Text] [Related]
3. Investigation of bio-active Amaryllidaceae alkaloidal small molecules as putative SARS-CoV-2 main protease and host TMPRSS2 inhibitors: interpretation by Bhowmick S; Mistri TK; Khan MR; Patil PC; Busquets R; Ashif Ikbal AM; Choudhury A; Roy DK; Palit P; Saha A J Biomol Struct Dyn; 2024 Sep; 42(14):7107-7127. PubMed ID: 37482789 [TBL] [Abstract][Full Text] [Related]
4. Drugs Repurposing Using QSAR, Docking and Molecular Dynamics for Possible Inhibitors of the SARS-CoV-2 M Tejera E; Munteanu CR; López-Cortés A; Cabrera-Andrade A; Pérez-Castillo Y Molecules; 2020 Nov; 25(21):. PubMed ID: 33172092 [TBL] [Abstract][Full Text] [Related]
5. Targeting SARS-CoV-2 Main Protease: A Computational Drug Repurposing Study. Baby K; Maity S; Mehta CH; Suresh A; Nayak UY; Nayak Y Arch Med Res; 2021 Jan; 52(1):38-47. PubMed ID: 32962867 [TBL] [Abstract][Full Text] [Related]
6. Antiviral evaluation of hydroxyethylamine analogs: Inhibitors of SARS-CoV-2 main protease (3CLpro), a virtual screening and simulation approach. Gupta Y; Kumar S; Zak SE; Jones KA; Upadhyay C; Sharma N; Azizi SA; Kathayat RS; Poonam ; Herbert AS; Durvasula R; Dickinson BC; Dye JM; Rathi B; Kempaiah P Bioorg Med Chem; 2021 Oct; 47():116393. PubMed ID: 34509862 [TBL] [Abstract][Full Text] [Related]
7. In silico prediction of potential inhibitors for the main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing. Kumar Y; Singh H; Patel CN J Infect Public Health; 2020 Sep; 13(9):1210-1223. PubMed ID: 32561274 [TBL] [Abstract][Full Text] [Related]
8. Evaluation of inhibition effect and interaction mechanism of antiviral drugs on main protease of novel coronavirus: Molecular docking and molecular dynamics studies. Gao X; Wang C; Jiang Y; Zhang S; Zhang M; Liu L; Gao S J Mol Graph Model; 2024 Dec; 133():108873. PubMed ID: 39326254 [TBL] [Abstract][Full Text] [Related]
9. Identification of terpenoids as potential inhibitors of SARS-CoV-2 (main protease) and spike (RBD) via computer-aided drug design. Hadni H; Fitri A; Touimi Benjelloun A; Benzakour M; Mcharfi M; Benbrahim M J Biomol Struct Dyn; 2024 Sep; 42(15):8145-8158. PubMed ID: 37548619 [TBL] [Abstract][Full Text] [Related]
10. Quantitative structure-activity relationships, molecular docking and molecular dynamics simulations reveal drug repurposing candidates as potent SARS-CoV-2 main protease inhibitors. de Souza AS; de Souza RF; Guzzo CR J Biomol Struct Dyn; 2022; 40(21):11339-11356. PubMed ID: 34370631 [TBL] [Abstract][Full Text] [Related]
11. 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]
12. Synthesis and Identification of Novel Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach. El Bakri Y; Anouar EH; Ahmad S; Nassar AA; Taha ML; Mague JT; El Ghayati L; Essassi EM Appl Biochem Biotechnol; 2021 Nov; 193(11):3602-3623. PubMed ID: 34324152 [TBL] [Abstract][Full Text] [Related]
13. Discovery of potent Covid-19 main protease inhibitors using integrated drug-repurposing strategy. T MK; K R; James N; V S; K R Biotechnol Appl Biochem; 2021 Aug; 68(4):712-725. PubMed ID: 33797130 [TBL] [Abstract][Full Text] [Related]
14. Targeting the SARS-CoV-2 main protease using FDA-approved Isavuconazonium, a P2-P3 α-ketoamide derivative and Pentagastrin: An in-silico drug discovery approach. Achilonu I; Iwuchukwu EA; Achilonu OJ; Fernandes MA; Sayed Y J Mol Graph Model; 2020 Dec; 101():107730. PubMed ID: 32920239 [TBL] [Abstract][Full Text] [Related]
15. In silico Study to Evaluate the Antiviral Activity of Novel Structures against 3C-like Protease of Novel Coronavirus (COVID-19) and SARS-CoV. Chunduru K; Sankhe R; Begum F; Sodum N; Kumar N; Kishore A; Shenoy RR; Rao CM; Saravu K Med Chem; 2021; 17(4):380-395. PubMed ID: 32720605 [TBL] [Abstract][Full Text] [Related]
16. A multi-stage virtual screening of FDA-approved drugs reveals potential inhibitors of SARS-CoV-2 main protease. Mandour YM; Zlotos DP; Alaraby Salem M J Biomol Struct Dyn; 2022 Mar; 40(5):2327-2338. PubMed ID: 33094680 [TBL] [Abstract][Full Text] [Related]
17. Synthetic flavonoids as potential antiviral agents against SARS-CoV-2 main protease. Batool F; Mughal EU; Zia K; Sadiq A; Naeem N; Javid A; Ul-Haq Z; Saeed M J Biomol Struct Dyn; 2022 May; 40(8):3777-3788. PubMed ID: 33251983 [TBL] [Abstract][Full Text] [Related]
18. 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]
19. A molecular dynamics simulations analysis of repurposing drugs for COVID-19 using bioinformatics methods. Ullah S; Rahman W; Ullah F; Ullah A; Jehan R; Iqbal MN; Irfan M J Biomol Struct Dyn; 2024 Nov; 42(18):9561-9570. PubMed ID: 37882340 [TBL] [Abstract][Full Text] [Related]
20. Anti-HIV and anti-HCV small molecule protease inhibitors in-silico repurposing against SARS-CoV-2 M Sultan A; Ali R; Ishrat R; Ali S J Biomol Struct Dyn; 2022; 40(23):12848-12862. PubMed ID: 34569411 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]