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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

251 related articles for article (PubMed ID: 33540040)

  • 1. Importance of glutamine 189 flexibility in SARS-CoV-2 main protease: Lesson learned from in silico virtual screening of ChEMBL database and molecular dynamics.
    Said MA; Albohy A; Abdelrahman MA; Ibrahim HS
    Eur J Pharm Sci; 2021 May; 160():105744. PubMed ID: 33540040
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Molecular docking and dynamics study to explore phytochemical ligand molecules against the main protease of SARS-CoV-2 from extensive phytochemical datasets.
    Mahmud S; Mita MA; Biswas S; Paul GK; Promi MM; Afrose S; Hasan R; Shimu SS; Zaman S; Uddin S; Tallei TE; Emran TB; Saleh A
    Expert Rev Clin Pharmacol; 2021 Oct; 14(10):1305-1315. PubMed ID: 34301158
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease.
    Deeks HM; Walters RK; Barnoud J; Glowacki DR; Mulholland AJ
    J Chem Inf Model; 2020 Dec; 60(12):5803-5814. PubMed ID: 33174415
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Comprehensive Virtual Screening of the Antiviral Potentialities of Marine Polycyclic Guanidine Alkaloids against SARS-CoV-2 (COVID-19).
    El-Demerdash A; Metwaly AM; Hassan A; Abd El-Aziz TM; Elkaeed EB; Eissa IH; Arafa RK; Stockand JD
    Biomolecules; 2021 Mar; 11(3):. PubMed ID: 33808721
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Fragment-based in silico design of SARS-CoV-2 main protease inhibitors.
    Ahmad S; Usman Mirza M; Yean Kee L; Nazir M; Abdul Rahman N; Trant JF; Abdullah I
    Chem Biol Drug Des; 2021 Oct; 98(4):604-619. PubMed ID: 34148292
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Protein structural heterogeneity: A hypothesis for the basis of proteolytic recognition by the main protease of SARS-CoV and SARS-CoV-2.
    Behnam MAM
    Biochimie; 2021 Mar; 182():177-184. PubMed ID: 33484784
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Identification of known drugs as potential SARS-CoV-2 Mpro inhibitors using ligand- and structure-based virtual screening.
    Federico LB; Silva GM; da Silva Hage-Melim LI; Gomes SQ; Barcelos MP; Galindo Francischini IA; Tomich de Paula da Silva CH
    Future Med Chem; 2021 Aug; 13(16):1353-1366. PubMed ID: 34169729
    [No Abstract]   [Full Text] [Related]  

  • 11. Structure-based identification of SARS-CoV-2 main protease inhibitors from anti-viral specific chemical libraries: an exhaustive computational screening approach.
    Bhowmick S; Saha A; Osman SM; Alasmary FA; Almutairi TM; Islam MA
    Mol Divers; 2021 Aug; 25(3):1979-1997. PubMed ID: 33844135
    [TBL] [Abstract][Full Text] [Related]  

  • 12. In Silico Identification and Validation of Organic Triazole Based Ligands as Potential Inhibitory Drug Compounds of SARS-CoV-2 Main Protease.
    Sur VP; Sen MK; Komrskova K
    Molecules; 2021 Oct; 26(20):. PubMed ID: 34684780
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Establishing an Analogue Based In Silico Pipeline in the Pursuit of Novel Inhibitory Scaffolds against the SARS Coronavirus 2 Papain-Like Protease.
    Hajbabaie R; Harper MT; Rahman T
    Molecules; 2021 Feb; 26(4):. PubMed ID: 33672721
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Virtual high throughput screening: Potential inhibitors for SARS-CoV-2 PL
    Jade D; Ayyamperumal S; Tallapaneni V; Joghee Nanjan CM; Barge S; Mohan S; Nanjan MJ
    Eur J Pharmacol; 2021 Jun; 901():174082. PubMed ID: 33823185
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. 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]  

  • 17. 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]  

  • 18. Structure-activity relationship (SAR) and molecular dynamics study of withaferin-A fragment derivatives as potential therapeutic lead against main protease (M
    Ghosh A; Chakraborty M; Chandra A; Alam MP
    J Mol Model; 2021 Feb; 27(3):97. PubMed ID: 33641023
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Iterated Virtual Screening-Assisted Antiviral and Enzyme Inhibition Assays Reveal the Discovery of Novel Promising Anti-SARS-CoV-2 with Dual Activity.
    Hamdy R; Fayed B; Mostafa A; Shama NMA; Mahmoud SH; Mehta CH; Nayak Y; M Soliman SS
    Int J Mol Sci; 2021 Aug; 22(16):. PubMed ID: 34445763
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Molecular Docking and Virtual Screening Based Prediction of Drugs for COVID-19.
    Talluri S
    Comb Chem High Throughput Screen; 2021; 24(5):716-728. PubMed ID: 32798373
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.