High Throughput Virtual Screening for Pharmacokinetics and Molecular Docking for the Phyto Constituents as Antidiabetic Agents in Boswellia scara Using SWISS ADME and mcule

Abstract

An objective of a current project had been to analyze cellular docking studies for anti-diabetic activity and pharmacokinetics studies of phytocompounds reported in Boswellia scara (commonly known as Luban Plant in Oman) using SWISS ADME and mcule software. Peroxisomes proliferator-activated receptor gama (PPAR-?) agonists were also advantageous within management of diabetes through trying to stimulate sensitivity to insulin as well as antagonizing hepatocyte glycogen synthesis. In the current research work aims to research a PPAR- ? agonist property like phytocompounds from the Boswellia scara(BS) use of a kind in-silico strategy. Docking studies like BSon human PPAR-? protein database has been resolute by whilst online available free softwares SWISS ADME and mcule but also comparison as for glibenclamide an identified agonist like PPAR-?. PK of all the drugs reveals that, they were not well absorbed through GI tract, however, due to their high lipophilic character all the phytochemicals cross Blood brain barrier (BBB) except ?-caryophyllene. Docking studies recommended that, Limonene had enough better fitness start scoring like -6.3 kcal/mole, however it was less compared to standard drug glibenclamide, -9.4. It was satisfied Swiss ADME and mcule features and displayed encouraging ‘simulation results. Advanced plots obtained by docking studies analyze predicted stability like proposed protein-ligand complex. However, as the docking scores are less for BS compared with standard drug glibenclamide, we propose that BS may have a mild anti-diabetic activity. Hands on wet laboratory validation is warranted.