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Molecules 2017, 22(9), 1375; doi:10.3390/molecules22091375

MTLD, a Database of Multiple Target Ligands, the Updated Version

1
North China Institute of Science and Technology, Beijing 065201, China
2
Institute of Medicinal Biotechnology, Chinese Academy of Medical Science, Beijing 100050, China
3
Lady Davis Institute for Medical Research, Jewish General Hospital, Montreal, QC H3T 1E2, Canada
*
Author to whom correspondence should be addressed.
Received: 3 July 2017 / Revised: 14 August 2017 / Accepted: 16 August 2017 / Published: 6 September 2017
(This article belongs to the Special Issue Polypharmacology and Multitarget Drug Discovery)
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Abstract

Polypharmacology plays an important role in drug discovery and polypharmacology drug strategies provide a novel path in drug design. However, to develop a polypharmacology drug with the desired profile remains a challenge. Previously, we developed a free web-accessible database called Multiple Target Ligand Database (MTLD, www.mtdcadd.com). Herein, the MTLD database has been updated, containing 2444 Multiple Target Ligands (MTLs) that bind with 21,424 binding sites from 18,231 crystal structures. Of the MTLs, 304 entries are approved drugs, and 1911 entries are drug-like compounds. Also, we added new functions such as multiple conditional search and linkage visualization. Through querying the updated database, extremely useful information for the development of polypharmacology drugs may be provided. View Full-Text
Keywords: polypharmacology; Multiple Target Ligands (MTLs); drug discovery; database polypharmacology; Multiple Target Ligands (MTLs); drug discovery; database
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Chen, C.; Wu, M.; Cen, S.; Wu, J.; Zhou, J. MTLD, a Database of Multiple Target Ligands, the Updated Version. Molecules 2017, 22, 1375.

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