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Table 1 Molecular docking and hydrogen bond analysis between viral proteins and beta-sesquiphellandrene molecule

From: Molecular docking and simulation investigation: effect of beta-sesquiphellandrene with ionic integration on SARS-CoV2 and SFTS viruses

Docked complex ACE value Binding energy (kcal/mol) Amino acid residues of proteins/hydrogen bond length (Å)
Spike protein and beta-sesquiphellandrene (Sp-bS) − 265 − 10.3 Leu504 (2.5 Å)
Leu374 (2.7 Å)
Lys343 (3.2 Å)
Membrane glycoprotein polyprotein and beta-sesquiphellandrene (MPp-bS) − 250 − 9.5 Asp168 (2.8 Å)
Ser169 (2.3 Å)
Lys170 (2.5 Å)