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生药学与天然产物杂志

Design and virtual screening of potential CD14inhibitors with focus and chlorogenic acid as Lead

Abstract

Poyi Olanike Catherine

Pharmacovigilance (PV) is defined according to WHO, as the science and activities relating to the detection, assessment, understanding and prevention of adverse effects or any other drug-related problem. The aims of PV are to enhance patient care and safety in relation to the use of medicines; and to support public health programmes by providing reliable, balanced information for the effective assessment of the risk- benefit profile of medicines. In silico methods are primarily used alongside the generation of in vitro data both to create the model and to test it. Such models have seen frequent use in the discovery and optimization of novel molecules with affinity to a target, the clarification of absorption, distribution, metabolism, excretion and toxicity properties as well as physicochemical characterization. Cheminformatics plays a key role to maintain and access enormous amount of chemical data, produced by chemist by using a proper database.

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