SuperNatural inhibitors to reverse multidrug resistance emerged by ABCB1 transporter: Database mining, lipid-mediated molecular dynamics, and pharmacokinetics study

• Mahmoud A. A. Ibrahim ,

  Roles Conceptualization, Methodology, Project administration, Resources, Software, Supervision, Writing – review & editing

  * E-mail: m.ibrahim@compchem.net (MAAI); elamir77@yahoo.com (MEFH)

  Affiliations Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt, School of Health Sciences, University of KwaZulu-Natal, Durban, South Africa

  https://orcid.org/0000-0003-4819-2040

  ⨯
• Khlood A. A. Abdeljawaad,

  Roles Data curation, Formal analysis, Investigation, Visualization, Writing – original draft

  Affiliation Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt

  https://orcid.org/0000-0001-8667-664X

  ⨯
• Alaa H. M. Abdelrahman,

  Roles Investigation, Methodology, Project administration, Validation, Writing – review & editing

  Affiliation Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt

  ⨯
• Mahmoud M. H. Abdelhamid,

  Roles Data curation, Investigation, Visualization, Writing – original draft

  Affiliation Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt

  ⨯
• Mohamed Ahmed Naeem,

  Roles Methodology, Writing – review & editing

  Affiliation Nutrition and Food Sciences, Ain Shams University Specialized Hospital, Ain Shams University, Cairo, Egypt

  ⨯
• Gamal A. H. Mekhemer,

  Roles Project administration, Supervision, Writing – review & editing

  Affiliation Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt

  ⨯
• Peter A. Sidhom,

  Roles Writing – review & editing

  Affiliation Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta, Egypt

  ⨯
• Shaban R. M. Sayed,

  Roles Resources, Writing – review & editing

  Affiliation Department of Botany and Microbiology, College of Science, King Saud University, Riyadh, Saudi Arabia

  ⨯
• Paul W. Paré,

  Roles Writing – review & editing

  Affiliation Department of Chemistry & Biochemistry, Texas Tech University, Lubbock, Texas, United States of America

  https://orcid.org/0000-0003-1644-723X

  ⨯
• Mohamed-Elamir F. Hegazy

  Roles Project administration, Writing – review & editing

  * E-mail: m.ibrahim@compchem.net (MAAI); elamir77@yahoo.com (MEFH)

  Affiliation Chemistry of Medicinal Plants Department, National Research Centre, Giza, Egypt

  ⨯