首页|Mixed Ni(II) and Co(II) complexes of nalidixic acid drug: Synthesis, characterization, DNA/BSA binding profile and in vitro cytotoxic evaluation against MDA-MB-231 and HepG2 cancer cell lines

Mixed Ni(II) and Co(II) complexes of nalidixic acid drug: Synthesis, characterization, DNA/BSA binding profile and in vitro cytotoxic evaluation against MDA-MB-231 and HepG2 cancer cell lines

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  • NSTL
  • Elsevier
In this work, herein we report the synthesis, structural characterization and in vitro cytotoxic evaluation of two mixed Co(II)/Ni(II)-nalidixic acid-bipyridyl complexes (1 and 2). The structural analysis of metal complexes 1 and 2 was carried out by analytical and multispectroscopic techniques (FT-IR, UV-vis, EPR, sXRD). The crystallographic details of complexes 1 and 2 revealed a monoclinic crystal system with P21/c space group. DFT studies of complexes were performed to get electronic structure and localization of HOMO and LUMO electron densities. Hirshfeld surface analysis of metal complexes 1 and 2 was employed to understand the various intermolecular interactions (C-H center dot center dot center dot O, N-H center dot center dot center dot H and O-H center dot center dot center dot O) that define the stability of crystal lattice structures. The comparative interaction studies of complex 1 and complex 2 with DNA/BSA were performed by diverse multispectroscopic and analytical techniques to evaluate their chemotherapeutic potential. The magnitude of the DNA binding propensity and binding mode was verified by calculating K-b, K and K-sv values. Higher binding affinity was observed in case of complex 2 via intercalative mode. Furthermore, the cytotoxic assessment of complexes 1 and 2 was examined against MDA-MB-231 (triple negative human breast cancer cell line) and HepG2 (liver carcinoma cell line) employing MTT assay which revealed remarkably effecient and specific cytotoxic activity of complex 2. (C) 2022 Elsevier B.V. All rights reserved.

Transition metal complexesDFT studiesHirshfeld surface analysisDNA/BSA bindingMolecular dockingMTT-assayTRANSITION-METAL-COMPLEXESNEGATIVE BREAST-CANCERBOVINE SERUM-ALBUMINPOTENTIAL ANTICANCER AGENTSNONSTEROIDAL ANTIINFLAMMATORY DRUGHOMO-LUMO-GAPMOLECULAR DOCKINGCRYSTAL-STRUCTUREDNA-BINDINGCOPPER(II) COMPLEXES

Bashir, Masrat、Yousuf, Imtiyaz、Prasad, Chandra Prakash

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Aligarh Muslim Univ

AIIMS

2022

10.1016/j.saa.2022.120910

Spectrochimica acta

Spectrochimica acta

ISSN：1386-1425
年,卷(期)：2022.271
  • 9
  • 148