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. 2018 Jul;16(6):881–900. doi: 10.2174/1570159X15666171128143650

Table 2.

Molecular docking profile of natural ligands for MAO isoforms.

Docking Specifications Evaluated MAO-A MAO-B
Docking Score (trough standard precision method -8.400 and -5.726 -9.411 to -6.739
Docking Score (through standard precision method -12.128 and -5.683 -11.122 to -6.987.
π- π staking Tyr444, Phe208, Tyr407, and Phe352 Tyr398, Tyr435and Tyr326
H-Bond Asn181, Tyr197, and Tyr444 Cys 172, Tyr188, and Tyr435