Abstract

ADMET & CYTOTOXICITY PREDICTION OF RED SEAWEED GRACILLARIA DURA: AN IN SILICO APPROACH

Nikunj B. Patel, Lensi N. Patel, Khushi D. Patel, Maitri V. Patel and Haresh S. Kalasariya*

Abstract

In the present study, marine red algae Gracillaria dura was selected from the study performed by Biji Cyriac and K. Eswaran (2015). The screening of phycocompounds was carried out by using GCMS analysis from which a total of 10 compounds selected for this study. Chemical structure details (such as molecular weight, CAS, EC number, SMILE file etc.) of selected phycocompounds obtained from PubChem database. Prime requisite ADMET properties were predicted by using Danish (Q)SAR. Then, toxicity prediction was done by using ProTox-II whereas cytotoxicity (for both normal and cancerous cell line) prediction was carried out by using online webtool CLC Pred. The above study showed that the Ethyl cholate and Squalene compound can be applied as a drug candidate as well as further pharmacological evaluation.

Keywords: Gracillaria dura, Toxicity, ProTox-II, In-silico, Phycocomopund.