Synthesis of Dihydrazones as Potential Anticancer and DNA Binding Candidates: A Validation by Molecular Docking Studies

Author:

Sridhara Malavalli B.1,Rakesh Kadalipura P.2,Manukumar Honnayakanahalli M.3ORCID,Shantharam Chavalmane S.4,Vivek Hamse K.5,Kumara Humegowdeenahally K.6,Mohammed Yasser H.E.7,Gowda Dale C.6

Affiliation:

1. Department of Chemistry, Rani Channamma University, Vidyasangama, Belagavi-591156, Karnataka, India

2. Department of Pharmaceutical Engineering, School of Chemistry, Chemical Engineering and Life Science, Wuhan University of Technology, 205 Luoshi Road, Wuhan, 430073, China

3. Department of Studies in Biotechnology, University of Mysore, Manasagangotri, Mysuru- 570006, Karnataka, India

4. Department of Chemistry, Pooja Bhagavath Memorial Mahajana Education Centre, Mysuru-570016, Karnataka, India

5. Faculty of Natural Sciences, Adichunchanagiri University, B.G. Nagara, Mandya-571448, Karnataka, India

6. Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysuru-570006, Karnataka, India

7. Department of Biochemistry, Faculty of Applied Science College, University of Hajjah, Hajjah, Yemen

Abstract

Background: Accounting for mortality nearly one in four of human and second highest leading cause of death worldwide. Every year, about 10 million new cancers are diagnosed and causing major health issues in both developing and developed countries. Methods: A series of new dihydrazones were synthesized and screened for in vitro anticancer activity against three different MDA-MB-231, A546 and MCF7 cell lines and validated by DNA binding and molecular docking approaches. Result: In the present investigations, synthesized compounds 21, 22, 23 and 24 exhibited potent anticancer activity against tested cancer cell lines and DNA binding study using methyl green comparing to Doxorubicin and ethidium bromide as a positive control respectively. Conclusion: The Structure Activity Relationship (SAR) showed that the electron withdrawing groups (-Cl, -NO2, - F, and -Br) favored the DNA binding studies and anticancer activity whereas, electron donating groups (-OH and - OCH3) showed moderate activity. In the molecular docking study, binding interactions of the most active compounds 21, 22, 23 and 24 stacked with A-T rich regions of the DNA minor groove by surface binding interactions were confirmed. Further, the tuning of active analogs for targeted therapy was warranted.

Funder

National Natural Science Foundation of China

Publisher

Bentham Science Publishers Ltd.

Subject

Cancer Research,Pharmacology,Molecular Medicine

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