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Drug Discovery

Prediction of biochemical reactions catalyzed by enzymes in humans

in Algorithms/Drug Discovery/Machine Learning by

There are many biological important enzymes which exist in the human body, one of them is Cytochrome P450 (CyP450) enzymes which are mostly considered in drug discovery due to their involvement in the majority (75%) of drug metabolism [1]. Therefore, various in-silico methods have been applied to predict the possible substrates of CyP 450 enzymes [2-4]. Recently, an in-silico model has been developed to predict the potential chemical reactions mediated by the enzymes present in humans including CyP450 enzymes [5]. Continue reading “Prediction of biochemical reactions catalyzed by enzymes in humans” »

A review on the effects of CMPF binding with Human Serum Albumin

in Drug Discovery by

The interaction amongst plasma proteins and drugs is an imperative pharmacological parameter which impacts their pharmaco-dynamic behaviors and influences the circulation and disposal of a drug, the structure, and physiological activity of transporter proteins [1, 2].The proteins bind to various drugs and the most essential being albumin. Continue reading “A review on the effects of CMPF binding with Human Serum Albumin” »

Systems pharmacology and drug development

in Algorithms/Drug Discovery/System Pharmacology/Systems Biology by

Systems pharmacology is an emerging area in the field of medicinal chemistry and pharmacology which utilizes systems network to understand drug action at the organ and organism level. It applies the computational and experimental systems biology approaches to pharmacology, which includes network analyzes at multiple biological organization levels facilitating the understanding of both therapeutic and adverse effects of the drugs. Nearly a decade ago, the term systems pharmacology was used to define the drug action in a specific organ system such as reproductive pharmacology [1], but to date, it has been expanded to different organ and organism levels [2]. Continue reading “Systems pharmacology and drug development” »

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