Sensing the interactions between carbohydrate-binding agents and <i>N</i>-linked glycans of SARS-CoV-2 spike glycoprotein using molecular docking and simulation studies
Kiran Bharat Lokhande, Girish R. Apte, Ashish Shrivastava, Ashutosh Singh, Jayanta K. Pal, K. Venkateswara Swamy, Rajesh Kumar Gupta
Abstract
results will be helpful in the design and development of novel CBA-based antivirals for the SARS-CoV-2 neutralization.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
GlycanDocking (animal)GlycoproteinChemistryComputational biologyMolecular dynamicsBiochemistryBiologyComputational chemistryMedicineNursingMonoclonal and Polyclonal Antibodies ResearchGlycosylation and Glycoproteins ResearchBacteriophages and microbial interactions