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02 09, 2022;2022

DDPD 1.0: a manually curated and standardized database of digital properties of approved drugs for drug-likeness evaluation and drug development.

Qiang Li, Shiyong Ma, Xuelu Zhang, Zhaoyu Zhai, Lu Zhou, Haodong Tao, Yachen Wang, Jianbo Pan
Author Information
  1. Qiang Li: Center for Novel Target and Therapeutic Intervention, Institute of Life Sciences, Chongqing Medical University, 1 Yixueyuan Road, Yuzhong District, Chongqing 400016, China.
  2. Shiyong Ma: Center for Novel Target and Therapeutic Intervention, Institute of Life Sciences, Chongqing Medical University, 1 Yixueyuan Road, Yuzhong District, Chongqing 400016, China.
  3. Xuelu Zhang: Center for Novel Target and Therapeutic Intervention, Institute of Life Sciences, Chongqing Medical University, 1 Yixueyuan Road, Yuzhong District, Chongqing 400016, China.
  4. Zhaoyu Zhai: Center for Novel Target and Therapeutic Intervention, Institute of Life Sciences, Chongqing Medical University, 1 Yixueyuan Road, Yuzhong District, Chongqing 400016, China.
  5. Lu Zhou: Center for Novel Target and Therapeutic Intervention, Institute of Life Sciences, Chongqing Medical University, 1 Yixueyuan Road, Yuzhong District, Chongqing 400016, China.
  6. Haodong Tao: Center for Novel Target and Therapeutic Intervention, Institute of Life Sciences, Chongqing Medical University, 1 Yixueyuan Road, Yuzhong District, Chongqing 400016, China.
  7. Yachen Wang: Center for Novel Target and Therapeutic Intervention, Institute of Life Sciences, Chongqing Medical University, 1 Yixueyuan Road, Yuzhong District, Chongqing 400016, China.
  8. Jianbo Pan: Center for Novel Target and Therapeutic Intervention, Institute of Life Sciences, Chongqing Medical University, 1 Yixueyuan Road, Yuzhong District, Chongqing 400016, China. ORCID
PMID: 35139189 DOI: 10.1093/database/baab083

Abstract

Drug-likeness is a vital consideration when selecting compounds in the early stage of drug discovery. A series of drug-like properties are needed to predict the drug-likeness of a given compound and provide useful guidelines to increase the likelihood of converting lead compounds into drugs. Experimental physicochemical properties, pharmacokinetic/toxicokinetic properties and maximum dosages of approved small-molecule drugs from multiple text-based unstructured data resources have been manually assembled, curated, further digitized and processed into structured data, which are deposited in the Database of Digital Properties of approved Drugs (DDPD). DDPD 1.0 contains 30 212 drug property entries, including 2250 approved drugs and 32 properties, in a standardized value/unit format. Moreover, two analysis tools are provided to examine the drug-likeness features of given molecules based on the collected property data of approved drugs. Additionally, three case studies are presented to demonstrate how users can utilize the database. We believe that this database will be a valuable resource for the drug discovery and development field. Database URL:  http://www.inbirg.com/ddpd.

References

  1. Drug Metab Dispos. 2018 Nov;46(11):1466-1477 [PMID: 30115648]
  2. Biochem Pharmacol. 2002 Nov 1;64(9):1355-74 [PMID: 12392818]
  3. J Med Chem. 2020 Aug 27;63(16):8835-8848 [PMID: 32286824]
  4. Bioinformation. 2009 Jun 13;3(9):384-8 [PMID: 19707563]
  5. Nucleic Acids Res. 2021 Jul 2;49(W1):W5-W14 [PMID: 33893803]
  6. Nucleic Acids Res. 2015 Jan;43(Database issue):D928-34 [PMID: 25378312]
  7. Brief Bioinform. 2021 Jan 18;22(1):247-269 [PMID: 31950972]
  8. Curr Med Chem. 2002 Aug;9(15):1463-81 [PMID: 12173977]
  9. J Med Chem. 2002 Jun 20;45(13):2867-76 [PMID: 12061889]
  10. Pharmacol Rev. 2013 Dec 31;66(1):334-95 [PMID: 24381236]
  11. Bioinformatics. 2008 Oct 1;24(19):2270-1 [PMID: 18684738]
  12. J Med Chem. 2019 Nov 27;62(22):10005-10025 [PMID: 31188592]
  13. Methods. 2019 Aug 15;166:91-102 [PMID: 30772464]
  14. Database (Oxford). 2019 Jan 1;2019: [PMID: 31608949]
  15. J Chem Inf Model. 2016 Jun 27;56(6):1132-8 [PMID: 27243272]
  16. J Clin Pharmacol. 2002 Jun;42(6):620-43 [PMID: 12043951]
  17. J Med Chem. 2018 Dec 27;61(24):11169-11182 [PMID: 30395703]
  18. Int J Mol Sci. 2019 Jul 10;20(14): [PMID: 31295892]
  19. Adv Drug Deliv Rev. 2001 Mar 1;46(1-3):3-26 [PMID: 11259830]
  20. J Vet Pharmacol Ther. 2017 Jan;40(1):16-27 [PMID: 27501187]
  21. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082 [PMID: 29126136]
  22. ACS Med Chem Lett. 2018 Jun 15;9(7):577-580 [PMID: 30034579]
  23. Biochim Biophys Acta. 2013 Dec;1830(12):5526-34 [PMID: 23639804]
  24. Nucleic Acids Res. 2021 Jan 8;49(D1):D1358-D1364 [PMID: 33151297]

MeSH Term

Databases, Factual
Drug Development
Drug Discovery
Phenylenediamines

Chemicals

Phenylenediamines
N,N'-diphenyl-4-phenylenediamine
Journal Article Research Support, Non-U.S. Gov't

Links to CNCB-NGDC Resources

Database Commons: DBC008112 (DDPD)

Word Cloud

Created with Highcharts 10.0.0propertiesdrugsapproveddrugdrug-likenessdataDDPDdatabasecompoundsdiscoverygivenmanuallycuratedDatabase1propertystandardizeddevelopmentDrug-likenessvitalconsiderationselectingearlystageseriesdrug-likeneededpredictcompoundprovideusefulguidelinesincreaselikelihoodconvertingleadExperimentalphysicochemicalpharmacokinetic/toxicokineticmaximumdosagessmall-moleculemultipletext-basedunstructuredresourcesassembleddigitizedprocessedstructureddepositedDigitalPropertiesDrugs0contains30 212entriesincluding225032value/unitformatMoreovertwoanalysistoolsprovidedexaminefeaturesmoleculesbasedcollectedAdditionallythreecasestudiespresenteddemonstrateuserscanutilizebelievewillvaluableresourcefieldURL: http://wwwinbirgcom/ddpd0:digitalevaluation

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