View in EDS HTML Full Text PDF Full Text

Machine learning-based screening and molecular simulations for discovering novel PARP-1 inhibitors targeting DNA repair mechanisms for breast cancer therapy.

Saved in:
Bibliographic Details
Title: Machine learning-based screening and molecular simulations for discovering novel PARP-1 inhibitors targeting DNA repair mechanisms for breast cancer therapy.
Authors: Shahab M; Dongguan Key Laboratory of Computer-Aided Drug Design, The First Dongguan Affiliated Hospital, Guangdong Medical University, Dongguan, 523710, China.; Guangdong Medical University Key Laboratory of Big Data Mining and Precision Drug Design, Guangdong Provincial Key Laboratory for Research and Development of Natural Drugs, School of Pharmacy, Guangdong Medical University, Dongguan, 523808, China., Waqas M; Dongguan Key Laboratory of Computer-Aided Drug Design, The First Dongguan Affiliated Hospital, Guangdong Medical University, Dongguan, 523710, China.; Guangdong Medical University Key Laboratory of Big Data Mining and Precision Drug Design, Guangdong Provincial Key Laboratory for Research and Development of Natural Drugs, School of Pharmacy, Guangdong Medical University, Dongguan, 523808, China., Fahira A; Dongguan Key Laboratory of Computer-Aided Drug Design, The First Dongguan Affiliated Hospital, Guangdong Medical University, Dongguan, 523710, China.; Guangdong Medical University Key Laboratory of Big Data Mining and Precision Drug Design, Guangdong Provincial Key Laboratory for Research and Development of Natural Drugs, School of Pharmacy, Guangdong Medical University, Dongguan, 523808, China., Sharma BP; State Key Laboratories of Chemical Resources Engineering, Beijing University of Chemical Technology, Beijing, 100029, China., Zhang H; Dongguan Key Laboratory of Computer-Aided Drug Design, The First Dongguan Affiliated Hospital, Guangdong Medical University, Dongguan, 523710, China., Zheng G; State Key Laboratories of Chemical Resources Engineering, Beijing University of Chemical Technology, Beijing, 100029, China. zhenggj@mail.buct.edu.cn., Huang Z; Dongguan Key Laboratory of Computer-Aided Drug Design, The First Dongguan Affiliated Hospital, Guangdong Medical University, Dongguan, 523710, China. zn_huang@gdmu.edu.cn.; Guangdong Medical University Key Laboratory of Big Data Mining and Precision Drug Design, Guangdong Provincial Key Laboratory for Research and Development of Natural Drugs, School of Pharmacy, Guangdong Medical University, Dongguan, 523808, China. zn_huang@gdmu.edu.cn.
Source: Molecular diversity [Mol Divers] 2025 Aug; Vol. 29 (4), pp. 3323-3343. Date of Electronic Publication: 2025 Feb 03.
Publication Type: Journal Article
Journal Info: Publisher: ESCOM Science Publishers Country of Publication: Netherlands NLM ID: 9516534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-501X (Electronic) Linking ISSN: 13811991 NLM ISO Abbreviation: Mol Divers Subsets: MEDLINE
Database: MEDLINE Ultimate
Full text is not displayed to guests.
FullText Links:
  – Type: pdflink
Text:
  Availability: 1
Header DbId: mdl
DbLabel: MEDLINE Ultimate
An: 39899126
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: Machine learning-based screening and molecular simulations for discovering novel PARP-1 inhibitors targeting DNA repair mechanisms for breast cancer therapy.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AU" term="%22Shahab+M%22">Shahab M</searchLink>; Dongguan Key Laboratory of Computer-Aided Drug Design, The First Dongguan Affiliated Hospital, Guangdong Medical University, Dongguan, 523710, China.; Guangdong Medical University Key Laboratory of Big Data Mining and Precision Drug Design, Guangdong Provincial Key Laboratory for Research and Development of Natural Drugs, School of Pharmacy, Guangdong Medical University, Dongguan, 523808, China.<br /><searchLink fieldCode="AU" term="%22Waqas+M%22">Waqas M</searchLink>; Dongguan Key Laboratory of Computer-Aided Drug Design, The First Dongguan Affiliated Hospital, Guangdong Medical University, Dongguan, 523710, China.; Guangdong Medical University Key Laboratory of Big Data Mining and Precision Drug Design, Guangdong Provincial Key Laboratory for Research and Development of Natural Drugs, School of Pharmacy, Guangdong Medical University, Dongguan, 523808, China.<br /><searchLink fieldCode="AU" term="%22Fahira+A%22">Fahira A</searchLink>; Dongguan Key Laboratory of Computer-Aided Drug Design, The First Dongguan Affiliated Hospital, Guangdong Medical University, Dongguan, 523710, China.; Guangdong Medical University Key Laboratory of Big Data Mining and Precision Drug Design, Guangdong Provincial Key Laboratory for Research and Development of Natural Drugs, School of Pharmacy, Guangdong Medical University, Dongguan, 523808, China.<br /><searchLink fieldCode="AU" term="%22Sharma+BP%22">Sharma BP</searchLink>; State Key Laboratories of Chemical Resources Engineering, Beijing University of Chemical Technology, Beijing, 100029, China.<br /><searchLink fieldCode="AU" term="%22Zhang+H%22">Zhang H</searchLink>; Dongguan Key Laboratory of Computer-Aided Drug Design, The First Dongguan Affiliated Hospital, Guangdong Medical University, Dongguan, 523710, China.<br /><searchLink fieldCode="AU" term="%22Zheng+G%22">Zheng G</searchLink>; State Key Laboratories of Chemical Resources Engineering, Beijing University of Chemical Technology, Beijing, 100029, China. zhenggj@mail.buct.edu.cn.<br /><searchLink fieldCode="AU" term="%22Huang+Z%22">Huang Z</searchLink>; Dongguan Key Laboratory of Computer-Aided Drug Design, The First Dongguan Affiliated Hospital, Guangdong Medical University, Dongguan, 523710, China. zn_huang@gdmu.edu.cn.; Guangdong Medical University Key Laboratory of Big Data Mining and Precision Drug Design, Guangdong Provincial Key Laboratory for Research and Development of Natural Drugs, School of Pharmacy, Guangdong Medical University, Dongguan, 523808, China. zn_huang@gdmu.edu.cn.
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%229516534%22">Molecular diversity</searchLink> [Mol Divers] 2025 Aug; Vol. 29 (4), pp. 3323-3343. <i>Date of Electronic Publication: </i>2025 Feb 03.
– Name: TypePub
  Label: Publication Type
  Group: TypPub
  Data: Journal Article
– Name: TitleSource
  Label: Journal Info
  Group: Src
  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22ESCOM+Science+Publishers%22">ESCOM Science Publishers </searchLink><i>Country of Publication: </i>Netherlands <i>NLM ID: </i>9516534 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1573-501X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2213811991%22">13811991 </searchLink><i>NLM ISO Abbreviation: </i>Mol Divers <i>Subsets: </i>MEDLINE
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=39899126
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1007/s11030-025-11119-4
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        StartPage: 3323
    Titles:
      – TitleFull: Machine learning-based screening and molecular simulations for discovering novel PARP-1 inhibitors targeting DNA repair mechanisms for breast cancer therapy.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Shahab M
      – PersonEntity:
          Name:
            NameFull: Waqas M
      – PersonEntity:
          Name:
            NameFull: Fahira A
      – PersonEntity:
          Name:
            NameFull: Sharma BP
      – PersonEntity:
          Name:
            NameFull: Zhang H
      – PersonEntity:
          Name:
            NameFull: Zheng G
      – PersonEntity:
          Name:
            NameFull: Huang Z
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 01
              M: 08
              Text: 2025 Aug
              Type: published
              Y: 2025
          Identifiers:
            – Type: issn-electronic
              Value: 1573-501X
          Numbering:
            – Type: volume
              Value: 29
            – Type: issue
              Value: 4
          Titles:
            – TitleFull: Molecular diversity
              Type: main
ResultId 1