Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Atomic contact energies (kcal/mol) and hydrogen bonds formed by nepetolide with cyclooxygenase-2 (Cox-2), epidermal growth factor receptor (EGFR) and 15-lipoxygenase-2 (Lox-2).
| Atomic contact energies (kcal/mol) |
|||
|---|---|---|---|
| Cox-2 | EGFR | Lox-2 | |
| Nepetolide | −11.83 (−38.75) | −10.69 (−26.54) | −13.44(−29.25_ |
| Hydrogen bonds | 1(9) | 2 (6) | 2(7) |
The results represent the values for the best solution from docking programs. The numbers in parenthesis represent Autodock results.
