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 softwareâ€™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 indic
a 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.
Suhail Mohammed Hussain, Mohammed Sadath Hussain, Arbaaz Ahmed L and Nahida Arif. Characterization of isolated bioactive phytoconstituents from Flacourtia indica as potential phytopharmaceuticals - An in silico perspective. J Pharmacogn Phytochem 2016;5(6):323-331.