BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

589 related articles for article (PubMed ID: 33749545)

  • 1. On the search for COVID-19 therapeutics: identification of potential SARS-CoV-2 main protease inhibitors by virtual screening, pharmacophore modeling and molecular dynamics.
    Hassan A; Arafa RK
    J Biomol Struct Dyn; 2022 Oct; 40(17):7815-7828. PubMed ID: 33749545
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. 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]  

  • 4. 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]  

  • 5. Structure-based identification of potential SARS-CoV-2 main protease inhibitors.
    Khan S; Fakhar Z; Hussain A; Ahmad A; Jairajpuri DS; Alajmi MF; Hassan MI
    J Biomol Struct Dyn; 2022 May; 40(8):3595-3608. PubMed ID: 33210561
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Molecular docking and simulation studies of natural compounds of
    Mitra D; Verma D; Mahakur B; Kamboj A; Srivastava R; Gupta S; Pandey A; Arora B; Pant K; Panneerselvam P; Ghosh A; Barik DP; Mohapatra PKD
    J Biomol Struct Dyn; 2022 Aug; 40(12):5665-5686. PubMed ID: 33459176
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Isatin-based virtual high throughput screening, molecular docking, DFT, QM/MM, MD and MM-PBSA study of novel inhibitors of SARS-CoV-2 main protease.
    Varadharajan V; Arumugam GS; Shanmugam S
    J Biomol Struct Dyn; 2022 Oct; 40(17):7852-7867. PubMed ID: 33764269
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. 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]  

  • 12. 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]  

  • 13. In Silico Drug Repositioning to Target the SARS-CoV-2 Main Protease as Covalent Inhibitors Employing a Combined Structure-Based Virtual Screening Strategy of Pharmacophore Models and Covalent Docking.
    Vázquez-Mendoza LH; Mendoza-Figueroa HL; García-Vázquez JB; Correa-Basurto J; García-Machorro J
    Int J Mol Sci; 2022 Apr; 23(7):. PubMed ID: 35409348
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Identification of potential SARS-CoV-2 M
    Sobhia ME; Ghosh K; Sivangula S; Kumar S; Singh H
    J Biomol Struct Dyn; 2022 Jul; 40(11):5079-5089. PubMed ID: 33413032
    [TBL] [Abstract][Full Text] [Related]  

  • 16. In-silico pharmacophoric and molecular docking-based drug discovery against the Main Protease (Mpro) of SARS-CoV-2, a causative agent COVID-19.
    Haider Z; Subhani MM; Farooq MA; Ishaq M; Khalid M; Akram MN; Khan RSA; Niazi AK
    Pak J Pharm Sci; 2020 Nov; 33(6):2697-2705. PubMed ID: 33867348
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Structure-based virtual screening, molecular dynamics and binding affinity calculations of some potential phytocompounds against SARS-CoV-2.
    Naik SR; Bharadwaj P; Dingelstad N; Kalyaanamoorthy S; Mandal SC; Ganesan A; Chattopadhyay D; Palit P
    J Biomol Struct Dyn; 2022 Sep; 40(15):6921-6938. PubMed ID: 33682632
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Identification of novel inhibitors of SARS-CoV-2 main protease (M
    Verma S; Patel CN; Chandra M
    J Comput Chem; 2021 Oct; 42(26):1861-1872. PubMed ID: 34287986
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Virtual screening of natural products inspired in-house library to discover potential lead molecules against the SARS-CoV-2 main protease.
    Garg A; Goel N; Abhinav N; Varma T; Achari A; Bhattacharjee P; Kamal IM; Chakrabarti S; Ravichandiran V; Reddy AM; Gupta S; Jaisankar P
    J Biomol Struct Dyn; 2023 Mar; 41(5):2033-2045. PubMed ID: 35043750
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 30.