PROTAC-DB: an online database of PROTACs
| Autor: | Bo Yang, Gaoqi Weng, Jian Wu, Dong-Sheng Cao, Tingjun Hou, Dan Li, Junbo Gao, Qiaojun He, Chao Shen, Xiaowu Dong |
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| Rok vydání: | 2020 |
| Předmět: |
Proteasome Endopeptidase Complex
AcademicSubjects/SCI00010 Chimera organism Ubiquitin-Protein Ligases Computational biology Biology Ligands 010402 general chemistry 01 natural sciences Small Molecule Libraries 03 medical and health sciences Drug Delivery Systems Drug Discovery Genetics Humans Database Issue 030304 developmental biology Binding affinities Internet 0303 health sciences Binding Sites Multicatalytic endopeptidase complex Drug discovery Compound name Ubiquitination Online database Rational design 0104 chemical sciences Pharmaceutical Preparations Proteolysis Databases Chemical Software Protein Binding |
| Zdroj: | Nucleic Acids Research |
| ISSN: | 1362-4962 0305-1048 |
| Popis: | Proteolysis-targeting chimeras (PROTACs), which selectively degrade targeted proteins by the ubiquitin-proteasome system, have emerged as a novel therapeutic technology with potential advantages over traditional inhibition strategies. In the past few years, this technology has achieved substantial progress and two PROTACs have been advanced into phase I clinical trials. However, this technology is still maturing and the design of PROTACs remains a great challenge. In order to promote the rational design of PROTACs, we present PROTAC-DB, a web-based open-access database that integrates structural information and experimental data of PROTACs. Currently, PROTAC-DB consists of 1662 PROTACs, 202 warheads (small molecules that target the proteins of interest), 65 E3 ligands (small molecules capable of recruiting E3 ligases) and 806 linkers, as well as their chemical structures, biological activities, and physicochemical properties. Except the biological activities of warheads and E3 ligands, PROTAC-DB also provides the degradation capacities, binding affinities and cellular activities for PROTACs. PROTAC-DB can be queried with two general searching approaches: text-based (target name, compound name or ID) and structure-based. In addition, for the convenience of users, a filtering tool for the searching results based on the physicochemical properties of compounds is also offered. PROTAC-DB is freely accessible at http://cadd.zju.edu.cn/protacdb/. Graphical Abstract Graphical AbstractThe three basic steps to construct PROTAC-DB: (I) literature searching, (II) data collection, and (III) data processing by separating PROTACs into warheads, E3 ligands and linkers. |
| Databáze: | OpenAIRE |
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