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Computational identification of novel piperidine derivatives as potential HDM2 inhibitors designed by fragment-based QSAR, molecular docking and molecular dynamics simulations
Tumor suppressor protein p53 maintains integrity of genome and regulates the genes responsible for DNA repair mechanism, apoptosis as well as cell...
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On Applications of QSARs in Food and Agricultural Sciences: History and Critical Review of Recent Developments
During the past decade, a large number of reports described the roles of in silicoIn silico approaches in the development of new molecules...
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Development of multiple QSAR models for consensus predictions and unified mechanistic interpretations of the free-radical scavenging activities of chromone derivatives
Antioxidants are important defenders of the human body against nocive free radicals, which are the causative agents of most life-threatening...
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Predicting bioconcentration factor values of organic pollutants based on MEDV descriptors derived QSARs
The molecular electronegativity-distance vector (MEDV) is employed to describe the chemical structure of organic pollutants. Quantitative linear...