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.
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