Rational Design and Synthesis of Naphthalene Diimide Linked Bis-Naphthalimides as DNA Interactive Agents

M. Shaheer Malik, Syed Farooq Adil, Ziad Moussa, Hatem M. Altass, Ismail I. Althagafi, Moataz Morad, Mohammad Azam Ansari, Qazi Mohammad Sajid Jamal, Rami J. Obaid, Abdulrahman A. Al-Warthan, Thokhir B. Shaik, Saleh A. Ahmed

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)

Abstract

A molecular modeling assisted rational design and synthesis of naphthalene diimide linked bis-naphthalimides as potential DNA interactive agents is described. Chemical templates incorporating naphthalene diimide as a linker in bis-naphthalimide motif were subjected to molecular docking analysis at specific intercalation and telomeric DNA G-quadruplex sites. Excellent results were obtained, which were better than the standards. A short and convenient synthetic route was employed to access these hybrids experimentally, followed by evaluation of their ability to cause thermal denaturation of DNA and cytotoxic properties along with ADME predictions. The obtained results provided useful insights and two potential molecules were identified for further development.

Original languageEnglish
Article number630357
JournalFrontiers in Chemistry
Volume9
DOIs
Publication statusPublished - Mar 10 2021

Keywords

  • DNA interactive
  • anticancer agents
  • bis-naphthalimides
  • molecular modeling
  • naphthalene diimide

ASJC Scopus subject areas

  • Chemistry(all)

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