Extending the identification of structural features responsible for anti-SARS-CoV activity of peptide-type compounds using QSAR modelling
Vijay H. Masand, Vesna Rastija, Meghshyam K. Patil, Ajaykumar Gandhi, A. Chapolikar
Abstract
= 0.82). The derived model is successful in identifying many atom-pairs as important structural features that govern the anti-SARS-CoV activity of peptide-type compounds. The newly developed model has a good balance of descriptive and statistical approaches. Consequently, the present work is useful for future modifications of peptide-type compounds for SARS-CoV and SARS-CoV-2 activity.
Topics & Concepts
Quantitative structure–activity relationshipIdentification (biology)PeptideComputational biologyLinear regressionComputer scienceChemistryMachine learningBiologyBiochemistryBotanyComputational Drug Discovery MethodsSynthesis and biological activityvaccines and immunoinformatics approaches