Research Article

[Retracted] High-Throughput Screening and Molecular Dynamics Simulation of Natural Products for the Identification of Anticancer Agents against MCM7 Protein

Table 4

The interaction detail of the shortlisted compounds.

S. No.CompoundsNameLigandReceptorInteractionDistanceE (kcal/Mol)S-score

1NPA000018Lolicine AO 74NZ LYS 305H-acceptor2.59−2.8−11.9
2NPA000111Armochaetoglobin NO 1NH2 ARG 567H-acceptor3.10−2.2−11.2
O 2OD2 ASP 363Ionic1.96−16.9
O 3OD2 ASP 363Ionic3.92−0.7
3NPA000305Quartromicin D2Hydrophobic interactions−11.8
4NPA014826Pyralomicin 2bO 4NE ARG71H-acceptor2.96−0.8−14.2
5-ringNH2 ARG71Pi-cation4.64−1.0