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Applied Bionics and Biomechanics
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Applied Bionics and Biomechanics
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2022
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Article
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Tab 4
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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.
Compounds
Name
Ligand
Receptor
Interaction
Distance
E (kcal/Mol)
S-score
1
NPA000018
Lolicine A
O 74
NZ LYS 305
H-acceptor
2.59
−2.8
−11.9
2
NPA000111
Armochaetoglobin N
O 1
NH2 ARG 567
H-acceptor
3.10
−2.2
−11.2
O 2
OD2 ASP 363
Ionic
1.96
−16.9
O 3
OD2 ASP 363
Ionic
3.92
−0.7
3
NPA000305
Quartromicin D2
Hydrophobic interactions
−11.8
4
NPA014826
Pyralomicin 2b
O 4
NE ARG71
H-acceptor
2.96
−0.8
−14.2
5-ring
NH2 ARG71
Pi-cation
4.64
−1.0