Virtual screening-driven drug discovery of SARS-CoV2 enzyme inhibitors targeting viral attachment, replication, post-translational modification and host immunity evasion infection mechanisms
Mark Tristan J. Quimque, Kin Israel Notarte, Rey Arturo T. Fernandez, Mark Andrew O. Mendoza, Rhenz Alfred D. Liman, Justin Allen K. Lim, Luis Agustin E. Pilapil, Jehiel Karsten H. Ong, Adriel Pastrana, Abbas Khan, Dong‐Qing Wei, Allan Patrick G. Macabeo
Abstract
) was predicted to confer favorable ADMET values, high gastrointestinal absorptive probability and poor blood-brain barrier crossing capacities.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
In silicoDrug discoveryBiologyVirtual screeningViral replicationComputational biologyProteaseCoronavirusVirologyEnzymeVirusBiochemistryMedicineCoronavirus disease 2019 (COVID-19)GeneDiseaseInfectious disease (medical specialty)PathologyComputational Drug Discovery Methodsvaccines and immunoinformatics approachesMicrobial Natural Products and Biosynthesis