Detailed Information on Publication Record
2017
Enzyme Tunnels and Gates As Relevant Targets in Drug Design
MARQUES, Sérgio Manuel, Lukáš DANIEL, Tomáš BURYŠKA, Zbyněk PROKOP, Jan BREZOVSKÝ et. al.Basic information
Original name
Enzyme Tunnels and Gates As Relevant Targets in Drug Design
Authors
MARQUES, Sérgio Manuel (620 Portugal, belonging to the institution), Lukáš DANIEL (203 Czech Republic, belonging to the institution), Tomáš BURYŠKA (203 Czech Republic, belonging to the institution), Zbyněk PROKOP (203 Czech Republic, belonging to the institution), Jan BREZOVSKÝ (203 Czech Republic, belonging to the institution) and Jiří DAMBORSKÝ (203 Czech Republic, guarantor, belonging to the institution)
Edition
MEDICINAL RESEARCH REVIEWS, Hoboken, USA, WILEY, 2017, 0198-6325
Other information
Language
English
Type of outcome
Článek v odborném periodiku
Field of Study
30104 Pharmacology and pharmacy
Country of publisher
United States of America
Confidentiality degree
není předmětem státního či obchodního tajemství
References:
Impact factor
Impact factor: 8.290
RIV identification code
RIV/00216224:14310/17:00095541
Organization unit
Faculty of Science
UT WoS
000406877600003
Keywords in English
drug design; protein tunnels; protein gates; drug binding; selectivity; specificity
Změněno: 3/4/2018 14:38, Ing. Nicole Zrilić
Abstract
V originále
Many enzymes contain tunnels and gates that are essential to their function. Gates reversibly switch between open and closed conformations and thereby control the traffic of small molecules-substrates, products, ions, and solvent molecules-into and out of the enzyme's structure via molecular tunnels. Many transient tunnels and gates undoubtedly remain to be identified, and their functional roles and utility as potential drug targets have received comparatively little attention. Here, we describe a set of general concepts relating to the structural properties, function, and classification of these interesting structural features. In addition, we highlight the potential of enzyme tunnels and gates as targets for the binding of small molecules. The different types of binding that are possible and the potential pharmacological benefits of such targeting are discussed. Twelve examples of ligands bound to the tunnels and/or gates of clinically relevant enzymes are used to illustrate the different binding modes and to explain some new strategies for drug design. Such strategies could potentially help to overcome some of the problems facing medicinal chemists and lead to the discovery of more effective drugs.
Links
| GA16-06096S, research and development project |
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| GA16-07965S, research and development project |
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| LH14027, research and development project |
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| LM2015051, research and development project |
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| LO1214, research and development project |
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| 4SGA8519, interní kód MU |
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