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 *

152 related articles for article (PubMed ID: 37822772)

  • 21. A molecular modelling approach for identifying antiviral selenium-containing heterocyclic compounds that inhibit the main protease of SARS-CoV-2: an in silico investigation.
    Rakib A; Nain Z; Sami SA; Mahmud S; Islam A; Ahmed S; Siddiqui ABF; Babu SMOF; Hossain P; Shahriar A; Nainu F; Emran TB; Simal-Gandara J
    Brief Bioinform; 2021 Mar; 22(2):1476-1498. PubMed ID: 33623995
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Structure-based screening of novel lichen compounds against SARS Coronavirus main protease (Mpro) as potentials inhibitors of COVID-19.
    Joshi T; Sharma P; Joshi T; Pundir H; Mathpal S; Chandra S
    Mol Divers; 2021 Aug; 25(3):1665-1677. PubMed ID: 32602074
    [TBL] [Abstract][Full Text] [Related]  

  • 23. 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]  

  • 24. COVID-19: docking-based virtual screening and molecular dynamics study to identify potential SARS-CoV-2 spike protein inhibitors from plant-based phenolic compounds.
    Moradkhani S; Farmani A; Saidijam M; Taherkhani A
    Acta Virol; 2021; 65(3):288-302. PubMed ID: 34565157
    [TBL] [Abstract][Full Text] [Related]  

  • 25. DFT, molecular docking and molecular dynamics simulation studies on some newly introduced natural products for their potential use against SARS-CoV-2.
    Erdogan T
    J Mol Struct; 2021 Oct; 1242():130733. PubMed ID: 34054142
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Computational repurposing approach for targeting the critical spike mutations in B.1.617.2 (delta), AY.1 (delta plus) and C.37 (lambda) SARS-CoV-2 variants using exhaustive structure-based virtual screening, molecular dynamic simulations and MM-PBSA methods.
    Ebrahimi M; Karami L; Alijanianzadeh M
    Comput Biol Med; 2022 Aug; 147():105709. PubMed ID: 35728285
    [TBL] [Abstract][Full Text] [Related]  

  • 27. GC-MS profiling of Bauhinia variegata major phytoconstituents with computational identification of potential lead inhibitors of SARS-CoV-2 M
    More-Adate P; Lokhande KB; Swamy KV; Nagar S; Baheti A
    Comput Biol Med; 2022 Aug; 147():105679. PubMed ID: 35667152
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Identification of a potential SARS-CoV2 inhibitor via molecular dynamics simulations and amino acid decomposition analysis.
    Razzaghi-Asl N; Ebadi A; Shahabipour S; Gholamin D
    J Biomol Struct Dyn; 2021 Oct; 39(17):6633-6648. PubMed ID: 32705953
    [TBL] [Abstract][Full Text] [Related]  

  • 29.
    Rudrapal M; Issahaku AR; Agoni C; Bendale AR; Nagar A; Soliman MES; Lokwani D
    J Biomol Struct Dyn; 2022; 40(20):10437-10453. PubMed ID: 34182889
    [TBL] [Abstract][Full Text] [Related]  

  • 30. 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]  

  • 31. In silico prediction of potential inhibitors for SARS-CoV-2 Omicron variant using molecular docking and dynamics simulation-based drug repurposing.
    Mohamed EAR; Abdel-Rahman IM; Zaki MEA; Al-Khdhairawi A; Abdelhamid MM; Alqaisi AM; Rahim LBA; Abu-Hussein B; El-Sheikh AAK; Abdelwahab SF; Hassan HA
    J Mol Model; 2023 Feb; 29(3):70. PubMed ID: 36808314
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Identification of Pyrazole Derivatives of Usnic Acid as Novel Inhibitor of SARS-CoV-2 Main Protease Through Virtual Screening Approaches.
    Roney M; Singh G; Huq AKMM; Forid MS; Ishak WMBW; Rullah K; Aluwi MFFM; Tajuddin SN
    Mol Biotechnol; 2024 Apr; 66(4):696-706. PubMed ID: 36752937
    [TBL] [Abstract][Full Text] [Related]  

  • 33. In silico analysis and identification of antiviral coumarin derivatives against 3-chymotrypsin-like main protease of the novel coronavirus SARS-CoV-2.
    Abdizadeh R; Hadizadeh F; Abdizadeh T
    Mol Divers; 2022 Apr; 26(2):1053-1076. PubMed ID: 34213728
    [TBL] [Abstract][Full Text] [Related]  

  • 34. 25 (S)-Hydroxycholesterol acts as a possible dual enzymatic inhibitor of SARS-CoV-2 M
    Alzahrani FA; Alkarim SA; Hawsawi YM; Abdulaal WH; Albiheyri R; Kurdi B; Alguridi H; El-Magd MA
    J Biomol Struct Dyn; 2023 Jul; 41(10):4744-4755. PubMed ID: 35510619
    [TBL] [Abstract][Full Text] [Related]  

  • 35. In silico discovery of novel inhibitors from Northern African natural products database against main protease (Mpro) of SARS-CoV-2.
    Byadi S; Oblak D; Kassmi Y; Sadik K; Hachim ME; Podlipnik Č; Aboulmouhajir A
    J Biomol Struct Dyn; 2023 Apr; 41(7):2900-2910. PubMed ID: 35168469
    [TBL] [Abstract][Full Text] [Related]  

  • 36. SARS-CoV-2 proteases Mpro and PLpro: Design of inhibitors with predicted high potency and low mammalian toxicity using artificial neural networks, ligand-protein docking, molecular dynamics simulations, and ADMET calculations.
    Tumskiy RS; Tumskaia AV; Klochkova IN; Richardson RJ
    Comput Biol Med; 2023 Feb; 153():106449. PubMed ID: 36586228
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Dietary polyphenols mitigate SARS-CoV-2 main protease (Mpro)-Molecular dynamics, molecular mechanics, and density functional theory investigations.
    Adelusi TI; Oyedele AK; Monday OE; Boyenle ID; Idris MO; Ogunlana AT; Ayoola AM; Fatoki JO; Kolawole OE; David KB; Olayemi AA
    J Mol Struct; 2022 Feb; 1250():131879. PubMed ID: 34785822
    [TBL] [Abstract][Full Text] [Related]  

  • 38. In silico identification of potential inhibitors of key SARS-CoV-2 3CL hydrolase (Mpro) via molecular docking, MMGBSA predictive binding energy calculations, and molecular dynamics simulation.
    Choudhary MI; Shaikh M; Tul-Wahab A; Ur-Rahman A
    PLoS One; 2020; 15(7):e0235030. PubMed ID: 32706783
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Evaluating the ability of some natural phenolic acids to target the main protease and AAK1 in SARS COV-2.
    Ghamry HI; Belal A; El-Ashrey MK; Tawfik HO; Alsantali RI; Obaidullah AJ; El-Mansi AA; Abdelrahman D
    Sci Rep; 2023 May; 13(1):7357. PubMed ID: 37147518
    [TBL] [Abstract][Full Text] [Related]  

  • 40.
    Vijayakumar M; Janani B; Kannappan P; Renganathan S; Al-Ghamdi S; Alsaidan M; Abdelaziz MA; Peer Mohideen A; Shahid M; Ramesh T
    Saudi J Biol Sci; 2022 Jan; 29(1):18-29. PubMed ID: 34729030
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.