Combination of ligand and structure based virtual screening approaches for the discovery of potential PARP1 inhibitors

• Mohammad M. Al-Sanea ,

  Contributed equally to this work with: Mohammad M. Al-Sanea, Garri Chilingaryan, Narek Abelyan

  Roles Conceptualization, Formal analysis, Funding acquisition, Investigation, Methodology, Supervision, Writing – original draft

  Affiliation Department of Pharmaceutical Chemistry, College of Pharmacy, Jouf University, Sakaka, Saudi Arabia

  ⨯
• Garri Chilingaryan ,

  Contributed equally to this work with: Mohammad M. Al-Sanea, Garri Chilingaryan, Narek Abelyan

  Roles Conceptualization, Data curation, Investigation, Methodology, Resources, Validation, Writing – original draft, Writing – review & editing

  * E-mail: g_chilingaryan@mb.sci.am

  Affiliations Institute for Molecular Medicine, Huntington Beach, California, United States of America, Institute of Molecular Biology of NAS RA, Yerevan, Armenia, Institute of Biomedicine and Pharmacy, Russian-Armenian University, Yerevan, Armenia

  https://orcid.org/0000-0001-7367-7678

  ⨯
• Narek Abelyan ,

  Contributed equally to this work with: Mohammad M. Al-Sanea, Garri Chilingaryan, Narek Abelyan

  Roles Conceptualization, Data curation, Investigation, Methodology, Software, Validation, Writing – original draft, Writing – review & editing

  Affiliation Institute of Biomedicine and Pharmacy, Russian-Armenian University, Yerevan, Armenia

  https://orcid.org/0000-0002-2937-8985

  ⨯
• Michael Mamikonyan,

  Roles Data curation, Formal analysis, Writing – review & editing

  Affiliation Institute of Biomedicine and Pharmacy, Russian-Armenian University, Yerevan, Armenia

  ⨯
• Hayk Gasparyan,

  Roles Formal analysis, Software, Validation, Visualization

  Affiliation Department of Mathematics and Mechanics, Yerevan State University, Yerevan, Armenia

  ⨯
• Sargis Hovhannisyan,

  Roles Formal analysis, Software, Validation, Visualization, Writing – review & editing

  Affiliation Department of Mathematics and Mechanics, Yerevan State University, Yerevan, Armenia

  ⨯
• Abdelrahman Hamdi,

  Roles Data curation, Resources, Writing – review & editing

  Affiliation Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Mansoura University, Mansoura, Egypt

  ⨯
• Ahmed R. Ali,

  Roles Data curation, Formal analysis, Resources, Writing – review & editing

  Affiliation Department of Medicinal Chemistry, Faculty of Pharmacy, Mansoura University, Mansoura, Egypt

  ⨯
• Samy Selim,

  Roles Formal analysis, Investigation, Validation, Writing – review & editing

  Affiliation Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Jouf University, Sakaka, Saudi Arabia

  ⨯
• Ahmed A. B. Mohamed

  Roles Formal analysis, Investigation, Validation, Writing – review & editing

  Affiliation Department of Medicinal Chemistry, Faculty of Pharmacy, Mansoura University, Mansoura, Egypt

  ⨯