Table II.

Autodock analysis of the top four curcumin-based compounds.

Complexes	Ligand binding pocket	Interaction
Curcumin-p38α	GLY110, ASN115, ASP112, ASP168, VAL38, LEU104, GLU71, LYS53, VAL105, LEU75, LEU86, VAL30, THR106, ALA111	Nil
Bisdemethoxycurcumin-p38α	LEU75, LEU74, THR106, ASP168, GLY170, GLU71, ILE84, PHE169, LEU167, MET109, GLY110, ASP112, ALA111, ALA157	One Bisdemethoxycurcumin: H39 - A:PHE169:O 2.36 A°
Cyclocurcumin-p38α	ILE84, LEU75, LEU86, LYS53, VAL105, GLY85, THR106, LEU104, VAL52, GLU71, ASP168, ARG67, TYR35, PHE169	Two Cyclocurcumin:H40 - A:LEU104:O 2.13 A° A:VAL105:N - Cyclocurcumin:O3 3.02 A°
Demethoxycurcumin-p38α	THR106, LYS53, LEU108, ILE84, LEU104, MET109, LEU167, VAL38, ASP112, HIS107, ASP168, TYR35, ASN155, SER154, GLU71, LEU75	Three Demethoxycurcumin:H39 - A:SER154:OG 1.92 A° ASN155:ND2 - :Demethoxycurcumin:O1 3.04 A° A:SER154:OG - :Demethoxycurcumin:O2 2.67 A°