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.
4. Computational basis of SARS-CoV 2 main protease inhibition: an insight from molecular dynamics simulation based findings. Avti P; Chauhan A; Shekhar N; Prajapat M; Sarma P; Kaur H; Bhattacharyya A; Kumar S; Prakash A; Sharma S; Medhi B J Biomol Struct Dyn; 2022; 40(19):8894-8904. PubMed ID: 33998950 [TBL] [Abstract][Full Text] [Related]
5. Drug repurposing studies targeting SARS-CoV-2: an ensemble docking approach on drug target 3C-like protease (3CL Koulgi S; Jani V; Uppuladinne M; Sonavane U; Nath AK; Darbari H; Joshi R J Biomol Struct Dyn; 2021 Sep; 39(15):5735-5755. PubMed ID: 32679006 [TBL] [Abstract][Full Text] [Related]
6. Molecular Binding Mechanism and Pharmacology Comparative Analysis of Noscapine for Repurposing against SARS-CoV-2 Protease. Kumar N; Sood D; van der Spek PJ; Sharma HS; Chandra R J Proteome Res; 2020 Nov; 19(11):4678-4689. PubMed ID: 32786685 [TBL] [Abstract][Full Text] [Related]
7. Promising inhibitors of main protease of novel corona virus to prevent the spread of COVID-19 using docking and molecular dynamics simulation. Kumar D; Kumari K; Vishvakarma VK; Jayaraj A; Kumar D; Ramappa VK; Patel R; Kumar V; Dass SK; Chandra R; Singh P J Biomol Struct Dyn; 2021 Aug; 39(13):4671-4685. PubMed ID: 32567995 [TBL] [Abstract][Full Text] [Related]
8. In Silico Evaluation of Prospective Anti-COVID-19 Drug Candidates as Potential SARS-CoV-2 Main Protease Inhibitors. Ibrahim MAA; Abdelrahman AHM; Allemailem KS; Almatroudi A; Moustafa MF; Hegazy MF Protein J; 2021 Jun; 40(3):296-309. PubMed ID: 33387249 [TBL] [Abstract][Full Text] [Related]
9. 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]
10. Identification of doxorubicin as a potential therapeutic against SARS-CoV-2 (COVID-19) protease: a molecular docking and dynamics simulation studies. Sajid Jamal QM; Alharbi AH; Ahmad V J Biomol Struct Dyn; 2022 Oct; 40(17):7960-7974. PubMed ID: 33826483 [TBL] [Abstract][Full Text] [Related]
12. Aminoglycosides as potential inhibitors of SARS-CoV-2 main protease: an in silico drug repurposing study on FDA-approved antiviral and anti-infection agents. Ahmed MZ; Zia Q; Haque A; Alqahtani AS; Almarfadi OM; Banawas S; Alqahtani MS; Ameta KL; Haque S J Infect Public Health; 2021 May; 14(5):611-619. PubMed ID: 33866129 [TBL] [Abstract][Full Text] [Related]
14. 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]
16. 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]
18. Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main protease. Andrianov AM; Kornoushenko YV; Karpenko AD; Bosko IP; Tuzikov AV J Biomol Struct Dyn; 2021 Sep; 39(15):5779-5791. PubMed ID: 32662333 [TBL] [Abstract][Full Text] [Related]
19. Strong Binding of Leupeptin with TMPRSS2 Protease May Be an Alternative to Camostat and Nafamostat for SARS-CoV-2 Repurposed Drug: Evaluation from Molecular Docking and Molecular Dynamics Simulations. Ramakrishnan J; Kandasamy S; Iruthayaraj A; Magudeeswaran S; Chinnasamy K; Poomani K Appl Biochem Biotechnol; 2021 Jun; 193(6):1909-1923. PubMed ID: 33512650 [TBL] [Abstract][Full Text] [Related]
20. Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target. Arun KG; Sharanya CS; Abhithaj J; Francis D; Sadasivan C J Biomol Struct Dyn; 2021 Aug; 39(13):4647-4658. PubMed ID: 32571168 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]