Litcius/Paper detail

Bisindolylmaleimide IX: A novel anti-SARS-CoV2 agent targeting viral main protease 3CLpro demonstrated by virtual screening pipeline and in-vitro validation assays

Yash Gupta, Dawid Maciorowski, Samantha E. Zak, Krysten A. Jones, Rahul S. Kathayat, Saara‐Anne Azizi, Raman Mathur, Catherine M. Pearce, David J. Ilc, Hamza Husein, Andrew S. Herbert, Ajay Bharti, Brijesh Rathi, Ravi Durvasula, Daniel P. Becker, B.C. Dickinson, John M. Dye, Prakasha Kempaiah

2021Methods39 citationsDOIOpen Access PDF

Topics & Concepts

Virtual screeningDocking (animal)In vitroComputational biologyDrug repositioningDrug discoveryBiochemistryMolecular mechanicsChemistryBiologyMolecular dynamicsPharmacologyMedicineDrugComputational chemistryNursingComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 Researchvaccines and immunoinformatics approaches