11th Global Experts Meeting on Chemistry And Computational Catalysis
Singapore City, singapore
Parul University, India
Title: Design, Synthesis And Biological Evaluation Of Novel M-Tor Inhibitors As Anti-Cancer Agents
Biography: Ashish Patel
mTOR, a PI3K related kinase (PIKK) family member, is a component of the mTORC1 and mTORC2 serine/threonine kinase complexes, which play key roles in cell homeostasis and growth, and are abnormally regulated in tumor cells. Aberrant activation of the PI3K signalling cascade stimulates cell growth, survival, proliferation, and migration. More than 50% of all solid tumors have gene mutations, deletions, or amplifications that lead to upregulated PI3K/mTOR signalling. Therefore, blocking the mTOR signalling pathway by inhibiting mTOR serine/threonine kinase activity provides an innovative strategy for cancer therapy. Benzothiazole derivatives were docked against our target m-TOR retrieved from our Protein Data Bank (PDB Id: 3Qk0). Docking results revealed that, with respect to their free binding energy RB1, RB2, RB3, RB9, RB17 and RB19 compounds have highest binding energy by interaction with Try876, Asp964, ASN951, ILE831 aminoacid residues. The designed molecules showed better binding affinity in terms of estimated docking scores with respect to the already reported system; hence suggesting that newly designed molecules may serve as potential lead compound for developing new m-TOR inhibitors.
Key Words:- m-TOR, PI3K, Benzothiazole