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Journal of Genetic Engineering and Biotechnology

Table 5 Binding affinity and molecular interactions of Lupeol and reference standard drug against analgesic and inflammatory target proteins

From: Analgesic and anti-inflammatory potential of Lupeol isolated from Indian traditional medicinal plant Crateva adansonii screened through in vivo and in silico approaches

Docking complex

Binding affinity Kcal/mol

Residues involved in interaction

COX-2–Lupeol

− 9.0

Arg44,Arg61*,Tyr373,Pro542

COX-2–Indomethacin

− 8.4

Gln203*,His207,Lys211,Val291

nAChR–Lupeol

− 8.5

Ile33,Ile36,Ile77,Val91,Tyr94,Met155

nAChR–Pentazocine

− 7.0

Pro38,Cys39,Ile42,Leu68,Ala69,Leu70,Val72,Phe73

  1. Residues with * symbol indicates the hydrogen bonded interactions
  2. Residues without any symbol indicates Alkyl bonded interactions
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