Pharmacophore Modeling and Virtual Screening of mTor Inhibitors for the Treatment of Non-Small Cell Lung Cancer

Abstract

Cancer is a chronic disease and death due to cancer increasing day by day. There are different types of cancer like lung, breast, stomach etc. In India 2.25 million new cases and 0.7 million death each year and among them 67,735 new cases of lung cancer. In spite of the advancement of a few new anticancer operators, there are a few impediments that request the requirement for the improvement of progressively viable and more secure enemy of malignant growth drugs. mTOR (mammalian Target of Rapamycin) is exceptionally communicated in numerous sorts of malignant growth like bosom, lung, colorectal, renal cell carcinoma, and so on. After the endorsement of Everolimus by FDA in 2007, the researcher is attempting to grow new mTOR inhibitors that could go about as hostile to disease operators. In this way, mTOR is demonstrated to be an appealing objective for the treatment of numerous sorts of malignant growth. Here, different computational devices were utilized for the structuring of atoms. Ten diversified structures were taken and drew in the Sybyl types of different IC50 values. And pharmacophore model was generated using Discotech method so after many trial and errors the best pharmacophore model was selected and refined by GASP. It has five different features. Then generated pharmacophore model went into Virtual Screening(VS) and top 10 structures with their serial numbers, structures and their QFIT values described as a result of virtual screening.