Molecular modeling and computer aided drug design. Examples of their applications in medicinal chemistry.

Ooms, Frédéric

doi:10.2174/0929867003375317

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Molecular modeling and computer aided drug design. Examples of their applications in medicinal chemistry.

Ooms, Frédéric

2000 • In Current Medicinal Chemistry, 7 (2), p. 141 - 158

Peer Reviewed verified by ORBi

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https://hdl.handle.net/2268/320306

DOI
10.2174/0929867003375317

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10637360

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Keywords :

Structure-Activity Relationship; Computer-Aided Design; Drug Design; Models, Molecular; Biochemistry; Molecular Medicine; Pharmacology; Drug Discovery; Organic Chemistry

Abstract :

[en] The development of new drugs with potential therapeutic applications is one of the most complex and difficult process in the pharmaceutical industry. Millions of dollars and man-hours are devoted to the discovery of new therapeutical agents. As, the activity of a drug is the result of a multitude of factors such as bioavailability, toxicity and metabolism, rational drug design has been utopias for centuries. Very recently, impressive technological advances in areas such as structural characterization of biomacromolecules, computer sciences and molecular biology have made rational drug design feasible. The aim of this review is to give an outline of studies in the field of medicinal chemistry in which molecular modeling has helped in the discovery process of new drugs. The emphasis will be on lead generation and optimization.

Disciplines :

Chemistry

Author, co-author :

Ooms, Frédéric ; Université de Liège - ULiège > HEC Liège Research > HEC Liège Research: Strategy & Performance for the Society ; Facultés Universitaires Notre-Dame de la Paix. Chimie Moléculaire Structurale, Namur, Belgium. ooms@scf.fundp.ac.be

Language :

English

Title :

Molecular modeling and computer aided drug design. Examples of their applications in medicinal chemistry.

Publication date :

February 2000

Journal title :

Current Medicinal Chemistry

ISSN :

0929-8673

eISSN :

1875-533X

Publisher :

Bentham Science Publishers B.V., United Arab Emirates

Volume :

Issue :

Pages :

141 - 158

Peer reviewed :

Peer Reviewed verified by ORBi

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http://eurekaselect.com/article/download/65735

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since 02 July 2024

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