Abstract

IN SILICO MOLECULAR DOCKING STUDIES OF SOME ISOLATED COMPOUNDS FROM PISTIA STRATIOTES FOR Α-AMYLASE INHIBITORY ACTIVITY.

Md. Imam Hossain Bhuiyan, Md. Kaiser Alam, Mohammad Forhad Khan, Md. Hosne Mobarak Chowdhury, Md. Mohaiminul Islam, Md. Ismail Hossain, Roni Kanti Nath, Nishan Chakrabarty, Mohammad Shah Hafez Kabir*, Kazi Ashfak Ahmed Chowdhury

Abstract

The aim of the study to find the mechanism of action of the isolatedcompounds from Pistia stratiotes was explored the α-amylaseinhibitory activity by molecular docking analysis used for threephytoconstituents namely beta-sitosterol, daucoterol and sitoindoside Iisolated from P. stratiotes, to identify whether these compoundsinteract with the responsible protein (α-amylase enzyme). α wide rangeof docking score found during molecular docking. Beta-sitosterol,daucoterol and sitoindoside I showed the docking score -3.783, -3.526and -5.322 respectively. Among all the compounds, sitoindoside Ishowed best docking score, glide emodel and glide energy and it mightbe highly considered as safe drug for human. Further in vivoinvestigation need to identify whether isolated compounds from P. stratiotes have α-amylaseinhibitory activity or not.

Keywords: Pistia stratiotes ?-amylase, molecular docking, ADME/T properties.