Characterization of Isolated Bioactive Phytoconstituents from Flacourtia Indica as Potential Phytopharmaceuticals-An in Silico Perspective
Journal of Pharmacognosy and Phytochemistry(2016)
Abstract
The dependence of mankind for therapeutic applications on plants dates back to the start of the human
race. Natural remedies from ethnobotanicals are found to be safe and cost effective. Due to the poor
pharmacokinetic profiles and toxicity problems many synthetic drugs often fails to enter the market thus,
the pharmacologically active compounds from plants continued to provide an important source of novel
drug leads. The early inclusion of pharmacokinetics consideration in the drug discovery process using in
silico methods is becoming popular due to improved generation of software’s. The problems with
conventional method required time-consuming multi-step processes against a battery of in vivo biological
screening and high cost thus, In silico prediction of the pharmacokinetic parameters, biological properties
and toxicity due to advent of chemo-informatics tools, has reduced the cost dramatically and early
application in drug design are realized. The present investigation deals with computational evaluation of
six isolated phytocompounds from Flacourtia indica for their pharmacological potential and biological
activities. These compounds were evaluated for drug likeness properties, bioactivity score, ADME/T
profiles, and health affects by using various bioinformatics tools. The result indicated that all the six
compounds analyzed were non mutagens, non-carcinogens and having good drug-likeness properties
were seen. The ADMET parameters and probability of health effects were analyzed by admet SAR and
ACD/I-Lab online tools respectively and results shows the ADMET and probability of health effects
values are also in satisfying ranges. Pharmacological activities of these compounds were predicted
individually using PASS server many different pharmacological activities and mechanisms of action
shown by these compounds were reported. The results of our analysis clearly depict that all six
phytocompounds were having good pharmacokinetic profiles with numerous biological activities. These
compounds can be further studied in vitro and in vivo for the discovery of novel preventive and
therapeutic drug.
MoreTranslated text
Key words
Biocompatibility
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