Table 3. IPCS –inhibitor interactions post docking.
Compound | Amino acid | Ligand | Type of interaction |
---|---|---|---|
1 | His220 | 1,3 benzodioxol group | Hydrogen bonding |
1 | Asn183 | 1,3 benzodioxol group | Hydrogen bonding |
3 | Phe129 | 1,3 benzodioxol group | Sigma bond formation |
4 | Arg299 | 1,3 benzodioxol group | Hydrogen bonding |
5 | His220 | 1,3 benzodioxol group | Hydrogen bonding |
5 | Glu192 | Chromene group | Sigma bond formation |
5 | Arg299 | Chromene group | Pi bonding |