A computational simulation appraisal of banana lectin as a potential anti-SARS-CoV-2 candidate by targeting the receptor-binding domain

Journal of Genetic Engineering and Biotechnology

Table 7 The BFE values generated between the interaction of SARS-CoV-2 spike proteins and BanLec as calculated using MM-PBSA

Protein complex	Types of interaction energy (kJ/mol)
Protein complex	Van der Waals	Electrostatic	Polar solvation	SASA	Total binding-free energy
Omicron RBD- BanLec	−378.958±30.662	−556.282±52.801	773.583±58.558	−48.015±3.089	−209.672±34.141
WT-RBD-BanLec	−283.760±29.761	−259.071±55.518	564.757±89.688	−39.585±3.685	−17.658±51.442