Computational chemistry in drug lead discovery and design
نویسندگان
چکیده
منابع مشابه
PRO_SELECT: Combining structure-based drug design and combinatorial chemistry for rapid lead discovery. 1. Technology
This paper describes a novel methodology, PRO_SELECT, which combines elements of structure-based drug design and combinatorial chemistry to create a new paradigm for accelerated lead discovery. Starting with a synthetically accessible template positioned in the active site of the target of interest, PRO_SELECT employs database searching to generate lists of potential substituents for each subst...
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The process of drug discovery is very complex and requires an interdisciplinary effort to design effective and commercially feasible drugs. The objective of drug design is to find a chemical compound that can fit to a specific cavity on a protein target both geometrically and chemically. After passing the animal tests and human clinical trials, this compound becomes a drug available to patients...
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 2018
ISSN: 0020-7608,1097-461X
DOI: 10.1002/qua.25678