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Structure based drug design
eagle-i ID
http://xula.eagle-i.net/i/00000134-fd33-49ce-77e4-a45080000000
Resource Type
Properties
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Resource Description
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Structure-based drug design (SBDD) has emerged as an integral part of the modern drug design and discovery process. It is very useful in the development of new drug leads. SBDD uses three dimensional structure of target proteins in order to identify or design lead molecules by docking or virtual screening of chemical libraries. Homology models are used when 3D structures of the target proteins are unavailable. Hence the SBDD requires knowledge of the X-ray structure of a drug target or high sequence identity of a similar target with a known structure in order to determine potential interaction sites for drug modulators, screen databases for new lead candidates, and design potential inhibitors for the target receptor.
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Contact
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Mottamal, Madhu, Ph.D.
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Related Resource
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Schrödinger Suite
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Related Resource
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Tripos Sybyl-X
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Related Resource
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MOE: Molecular Operating Environment
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Related Resource
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GOLD
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Service Provided by
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RCMI Molecular Structure and Modeling Core
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Website(s)
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http://tripos.com/index.php?family=modules,SimplePage,,,&page=SYBYL-X
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Website(s)
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http://www.ccdc.cam.ac.uk/products/life_sciences/gold/
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Website(s)
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http://www.chemcomp.com/software.htm
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Website(s)
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http://www.schrodinger.com/