Figure 5
From: Antiviral activity of an N-allyl acridone against dengue virus
Docking modeling between the compound 3b and the postulated target protein IMPDH. (A) 3b binds to the active site of the IMPHD enzyme through 2 hydrogen bonds and hydrophobic interaction. (B) IMP interaction cavity consists of SER68, MET70, GLY328, SER329, ILE330, CYS331, GLU335, ASP364, GLY365, GLY366, GLY387, SER388. (C) 3b made a hydrogen bond with SER68 and hydrophobic interactions with SER68, MET70, ASP274, SER275, SER276, ASN303, ARG322, GLY324, MET325, SER327, GLY328, SER329, GLU335, ASP364, GLY365. (D) NAD interaction pocket residues are THR45, THR252, HIS253, ASP274, SER275, SER276, PHE282, ASN303, ARG322, HIS466, GLN469. (E) Two hydrogen bonds existed between 3b and ASN303, ARG322. 3b also made hydrophobic interactions with SER276, ASN303, ARG322, MET325, GLY326, CYS331, ILE332, GLN334, LEU337. (F) RIB binding site includes SER68, MET70, ARG322, GLY328, SER329, ILE330, CYS331, ASP364, GLY365, GLY366, GLY387, SER388, TYR411, GLY413, MET414, GLY415, GLN441. (G) 3b made hydrogen bonds with SER327, GLY328 and hydrophobic interactions with PRO69, MET70, SER275, ASN303, ARG322, GLY324, GLY326, SER327, GLY328, ASP364, GLY365.(H) HIS253, ASP274, SER275, SER276, PHE282, ASN303, ARG322, GLY324, MET325, GLY326, CYS331, THR333 involves in MYD activity cavity. (I) 3b made hydrophobic interactions with ASP274, SER275, SER276, ASN303, GLY324, MET325, GLY326, SER327, GLY328, ASP364.