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QSAR modeling and structure based virtual screening

appsraidkeyboard_double_arrow_right Research Activity 01 Oct 2012

QSAR modeling and structure based virtual screening

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Abstract

Phosphatidylinositol-3-kinase (PI3K) / mammalian target of rapamycin (mTOR) kinases belong to the phosphatidylinositol-3-kinase-related kinase (PIKK) family of kinases. Dysregulation of PI3K/mTOR signaling pathways is associated with various diseases, including cancer, diabetes, and cardiovascular diseases. This research activity aims to develop a QSAR model for predicting the activity of PI3K/mTOR inhibitors using structure-based virtual screening. The model will be trained on a dataset of known PI3K/mTOR inhibitors and validated using a separate test set. The results will be used to identify potential lead compounds for further optimization and development as therapeutic agents.

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	citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	0
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	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Average