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Pharmacophore Modeling and Three Dimensional Database Searching for Drug Design Using Catalyst: Recent Advances

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Perceiving a pharmacophore is the first essential step towards understanding the interaction between a receptor and a ligand. Once a pharmacophore is established, a beneficial use of it is 3D database searching to retrieve novel compounds that would match the pharmacophore. As the 3D searching technology has evolved over the years, it has been effectively used for lead optimization, combinatorial library focusing, as well as virtual high-throughput screening. This paper is an update to the original paper published in this journal earlier: Kurogi, Y, and G√ľner, O. F. “Pharmacophore Modeling and Three-Dimensional Database Searching for Drug Design Using Catalyst,” in Current Medicinal Chemistry, 2001, 8(9), 1035-1055.

Keywords: combinatorial libraries; cyclooxygenase-2 (cox-2); mycobacterium avium complex; nsaid; pharmacophore model; reductase; rofecoxib

Document Type: Review Article


Affiliations: Accelrys, 9685 Scranton Road, San Diego, CA 92121, USA.

Publication date: 2004-11-01

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  • Current Medicinal Chemistry covers all the latest and outstanding developments in medicinal chemistry and rational drug design. Each issue contains a series of timely in-depth reviews written by leaders in the field covering a range of the current topics in medicinal chemistry. Current Medicinal Chemistry is an essential journal for every medicinal chemist who wishes to be kept informed and up-to-date with the latest and most important developments.
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