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. 2024 Sep 29;23:15347354241285435. doi: 10.1177/15347354241285435

Figure 8.

Figure 8.

Molecular docking of ADP blood components acoronene, salicylic acid, nicotinic acid and benzoic acid with BC-PTSD disease targets IL1B, TNF, and BDNF. (A) Molecular docking of salicylic acid and IL1B (binding energy: −4.54 kcal/mol, binding sites: LYS-77, PRO-78, LEU-80, LEU-134). (B) Molecular docking of benzoic acid and IL1B (binding energy: −5.13 kcal/mol, binding sites: LEU-26, TYR-68, LEU-82, VAL-132). (C) Molecular docking of acoronene and TNF (binding energy: −9.60 kcal/mol, binding sites: LYS-98, PRO-117, TYR-119). (D) Molecular docking of salicylic acid and TNF (binding energy: −5.03 kcal/mol, binding sites: LYS-98, TYR-119);. (E) Molecular docking of nicotinic acid and BDNF (binding energy: −5.52 kcal/mol, binding sites: LYS-50, TYR-52, ARG-98). (F) Molecular docking of benzoic acid and BDNF (binding energy: −5.78 kcal/mol, binding sites: LYS-50, TYR-52, ARG-98).