Discovery of monocarbonyl curcumin hybrids as a novel class of human DNA ligase I inhibitors: in silico design, synthesis and biology

Author:

Mandalapu Dhanaraju1234,Singh Deependra Kumar5234,Gupta Sonal12346,Balaramnavar Vishal M.5234,Shafiq Mohammad5234,Banerjee Dibyendu52346,Sharma Vishnu Lal12346

Affiliation:

1. Medicinal & Process Chemistry Division

2. CSIR-Central Drug Research Institute (CSIR-CDRI)

3. Lucknow

4. India

5. Molecular & Structural Biology Division

6. Academy of Scientific and Innovative Research (AcSIR)

Abstract

A pharmacophore model identified a novel class of hLigI inhibitors to treat cancer. 36 compounds were synthesized and the identified inhibitor, compound 23 shown antiligase activity at IC50 24.9 μM by abolishing the interaction between hLigI and DNA.

Funder

Department of Biotechnology , Ministry of Science and Technology

Indian Council of Medical Research

Department of Science and Technology, Ministry of Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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