Bioactive compounds found in Cucumis sativus demonstrate optimal binding affinity to PTP1B.
Ogunbiyi OE, , Ogunbiyi BT, Adeleke SO, Arietarhire LO, Alege PE, Olugbogi EA, Olanrewaju JA, , , , , , · IPS Journal of Molecular Docking Simulations · 2023 October 14
DOI 10.54117/ijmds.v2i1.22
Objective
To investigate the in silico inhibitory potential of bioactive compounds from Cucumis sativus against the diabetogenic enzyme PTP1B.
Conclusions
The analysis revealed that the bioactive compounds isoorientin, chlorogenic acid, isovitexin, caffeic acid, and ferullic acid from Cucumis sativus exhibited inhibitory potential against PTP1B, with scores ranging from -8.60 to -6.44 kcal/mol and MM-GBSA values ranging from -56.46 to -51.13 ΔGbind.
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