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.
146 related articles for article (PubMed ID: 34312571)
1. Identification of Food Compounds as inhibitors of SARS-CoV-2 main protease using molecular docking and molecular dynamics simulations. Masand VH; Sk MF; Kar P; Rastija V; Zaki MEA Chemometr Intell Lab Syst; 2021 Oct; 217():104394. PubMed ID: 34312571 [TBL] [Abstract][Full Text] [Related]
2. Some Flavolignans as Potent Sars-Cov-2 Inhibitors Cetin A Curr Comput Aided Drug Des; 2022; 18(5):337-346. PubMed ID: 35975852 [TBL] [Abstract][Full Text] [Related]
3. Targeting SARS-CoV-2 main protease: structure based virtual screening, in silico ADMET studies and molecular dynamics simulation for identification of potential inhibitors. Uniyal A; Mahapatra MK; Tiwari V; Sandhir R; Kumar R J Biomol Struct Dyn; 2022 May; 40(8):3609-3625. PubMed ID: 33226303 [TBL] [Abstract][Full Text] [Related]
4. In-Silico Lead Druggable Compounds Identification against SARS COVID-19 Main Protease Target from In-House, Chembridge and Zinc Databases by Structure-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations. Ghufran M; Ullah M; Khan HA; Ghufran S; Ayaz M; Siddiq M; Abbas SQ; Hassan SSU; Bungau S Bioengineering (Basel); 2023 Jan; 10(1):. PubMed ID: 36671672 [TBL] [Abstract][Full Text] [Related]
5. 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]
6. Identification of natural compounds as potent inhibitors of SARS-CoV-2 main protease using combined docking and molecular dynamics simulations. Jairajpuri DS; Hussain A; Nasreen K; Mohammad T; Anjum F; Tabish Rehman M; Mustafa Hasan G; Alajmi MF; Imtaiyaz Hassan M Saudi J Biol Sci; 2021 Apr; 28(4):2423-2431. PubMed ID: 33526965 [TBL] [Abstract][Full Text] [Related]
7. 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]
8. Screening of potent phytochemical inhibitors against SARS-CoV-2 protease and its two Asian mutants. Muhammad I; Rahman N; Gul-E-Nayab ; Niaz S; Basharat Z; Rastrelli L; Jayanthi S; Efferth T; Khan H Comput Biol Med; 2021 Jun; 133():104362. PubMed ID: 33894500 [TBL] [Abstract][Full Text] [Related]
9. 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]
10. Identification of new anti-nCoV drug chemical compounds from Indian spices exploiting SARS-CoV-2 main protease as target. Kundu D; Selvaraj C; Singh SK; Dubey VK J Biomol Struct Dyn; 2021 Jun; 39(9):3428-3434. PubMed ID: 32362243 [TBL] [Abstract][Full Text] [Related]
11. Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy simulation study. Ancy I; Sivanandam M; Kumaradhas P J Biomol Struct Dyn; 2021 Sep; 39(15):5368-5375. PubMed ID: 32627689 [TBL] [Abstract][Full Text] [Related]
12. Structure-based virtual screening, in silico docking, ADME properties prediction and molecular dynamics studies for the identification of potential inhibitors against SARS-CoV-2 M Mohan A; Rendine N; Mohammed MKS; Jeeva A; Ji HF; Talluri VR Mol Divers; 2022 Jun; 26(3):1645-1661. PubMed ID: 34480682 [TBL] [Abstract][Full Text] [Related]
13. Virtual screening, ADMET prediction and dynamics simulation of potential compounds targeting the main protease of SARS-CoV-2. Yadav R; Imran M; Dhamija P; Chaurasia DK; Handu S J Biomol Struct Dyn; 2021 Oct; 39(17):6617-6632. PubMed ID: 32715956 [TBL] [Abstract][Full Text] [Related]
15. Microbial Natural Products as Potential Inhibitors of SARS-CoV-2 Main Protease (M Sayed AM; Alhadrami HA; El-Gendy AO; Shamikh YI; Belbahri L; Hassan HM; Abdelmohsen UR; Rateb ME Microorganisms; 2020 Jun; 8(7):. PubMed ID: 32610445 [TBL] [Abstract][Full Text] [Related]
16. Inhibition Potencies of Phytochemicals Derived from Sesame Against SARS-CoV-2 Main Protease: A Molecular Docking and Simulation Study. Kumar A; Mishra DC; Angadi UB; Yadav R; Rai A; Kumar D Front Chem; 2021; 9():744376. PubMed ID: 34692642 [TBL] [Abstract][Full Text] [Related]