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Table 2 Docking scores for validated Inhibitor and natural compounds with CYP51 and GP63 target proteins

From: Identification of potent natural compounds in targeting Leishmania major CYP51 and GP63 proteins using a high-throughput computationally enhanced screening

Compound name

Compound id

Docking score for CYP51

Docking score for GP63

Benzyloxycarbonyl-Tyr-Leu-NHOH

46173719

− 10.087

− 8.509

N-methyltyrosyl-N-methyltyrosyl-leucyl-alanine

UNPD86509

− 11.657

− 7.834

Hirsutide

UNPD107852

− 11.203

− 6.325

Vignatic acid A

UNPD163060

− 9.809

− 5.932

Cyclo-(Phe-Tyr)

UNPD22004

− 4.542

− 6.402