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Computer-aided drug design (CADD) is a widely used technology using computational tools and resources for the storage, management, analysis and modeling of compounds. It relies on digital repositories for the study of designing compounds with physicochemical characteristics, predicting whether a given molecule will be combined with the target, and if so how strongly. Computer-based methods can help us to search new hits in drug discovery, screening many irrelevant compounds at the same time and study the structure-activity relationship of drug molecules.


Lead optimization is a diversified operation in drug discovery, in which the chemical structures of compounds or biologics are modified to improve target’s specificity, selectivity, pharmacodynamics, pharmacokinetic and toxicological properties to generate preclinical drug candidates. In order to understand the need for lead optimization, it is important to determine the basic characteristics of leads, and in order to make a compound a drug sample, at least five basic attributes need to be considered including potency, bioavailability, duration, safety, and pharmaceutical acceptability.



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BOC Sciences offers a comprehensive custom medicinal chemistry, analysis and formulation services that cover drug discovery, API synthesis, purification, preformulation screening, formulation development…

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An equivalent of a big pharma discovery team from BOC Sciences will work collaborate closely with you to make your project a success-from screening of drug candidates to delivering robust formulations. Our unparalleled platforms and excellent drug discovery expertise enable us to provide you the depth and breadth in science with comprehensive data and unique insight that can progress your drug discovery programs.

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