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. 2022 Jun 7;7(24):20515–20527. doi: 10.1021/acsomega.1c07359

Table 3. Binding Energy Details of AChE with Identified Compounds.

compound dock score energy (kcal/mol) H-bond pi–pi stacking
ZINC95099639 –13.11 –31.96 Tyr184, Gly180 Trp147
ZINC03812983 –11.98 –33.84 Ser262, Gly182, Glu261 Trp392
ZINC95099641 –12.11 –35.56 Asn148 Trp147
ZINC70455604 –12.49 –37.56 No No
ZINC32273181 –12.27 –34.97 Thr185 Trp147
ZINC95098859 –12.12 –32.42 Gly180, Tyr391 Trp147