Frontiers in Computational Chemistry for Drug Discovery
نویسندگان
چکیده
منابع مشابه
Frontiers in drug discovery
The ‘traditional’ view of drug discovery involves a linear process of identifying and validating a target, generating a lead molecule, optimizing its properties and then proceeding to preclinical and clinical studies. In this scheme, the biologists take the lead in identifying and validating a target. The chemists subsequently look for potent smallmolecule inhibitors, most often through optimiz...
متن کاملOrganic chemistry in drug discovery.
The role played by organic chemistry in the pharmaceutical industry continues to be one of the main drivers in the drug discovery process. However, the precise nature of that role is undergoing a visible change, not only because of the new synthetic methods and technologies now available to the synthetic and medicinal chemist, but also in several key areas, particularly in drug metabolism and c...
متن کاملComputational Multitarget Drug Discovery
Pharmaceutical substances have been discovered by means ranging from serendipitous observation [1,2] to specific engineering [3]. The purpose is nearly always to combat one particular disease, and the approach is most often trial and error. The efficiency of these pharmaceutical hunts has been improved greatly by highthroughput pharmaceutical platforms, but the requirement of physical experimen...
متن کاملComputational methods in drug discovery
The process for drug discovery and development is challenging, time consuming and expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut, assisting in the expedition of this long process and potentially reducing the cost of research and development. Today CADD has become an effective and indispensable tool in therapeutic development. The human genome project has mad...
متن کاملComputational methods in drug discovery.
Computer-aided drug discovery/design methods have played a major role in the development of therapeutically important small molecules for over three decades. These methods are broadly classified as either structure-based or ligand-based methods. Structure-based methods are in principle analogous to high-throughput screening in that both target and ligand structure information is imperative. Str...
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ژورنال
عنوان ژورنال: Molecules
سال: 2018
ISSN: 1420-3049
DOI: 10.3390/molecules23112872