Displaying from 1 to 3 of 3 available piece of news with tag "Virtual_screening"
Haste makes waste: A critical review of docking-based virtual screening in drug repurposing for SARS-CoV-2 main protease (M-pro) inhibition
Macip G, Garcia-Segura P, Mestres-Truyol J, Saldivar-Espinoza B, Ojeda-Montes MJ, Gimeno A, Cereto-Massagué A, Garcia-Vallvé S, Pujadas G. Haste makes waste: A critical review of docking-based virtual screening in drug repurposing for SARS-CoV-2 main protease (M-pro) inhibition. Med Res Rev. 2021 Oct 26. doi: 10.1002/med.21862. PMID: 34697818.
Identification of Broad-Spectrum MMP Inhibitors by Virtual Screening
Gimeno A, Cuffaro D, Nuti E, Ojeda-Montes MJ, Beltrán-Debón R, Mulero M, Rossello A, Pujadas G, Garcia-Vallvé S. Identification of Broad-Spectrum MMP Inhibitors by Virtual Screening. Molecules. 2021 Jul 28;26(15):4553. doi: 10.3390/molecules26154553. PMID: 34361703.
Two anti-inflammatory drugs found that inhibit the Main protease (M-pro) from SARS-CoV-2
A study by the URV's Cheminformatics and Nutrition research group has shown that an anti-inflammatory drug for humans and another for animals inhibit a key enzyme in the replication and transcription of the COVID-19 virus. The results of the work have been validated by the initiative COVIDMoonshot which has carried out in vitro studies and assessed their bioactivity. The results have been published in the "International Journal of Molecular Sciences"