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J Biomol Struct Dyn ; 38(2): 364-381, 2020 02.
Artigo em Inglês | MEDLINE | ID: mdl-30773095

RESUMO

The binding of small molecules with histone-DNA complexes can cause an interference in vital cellular processes such as cell division and the growth of cancerous cells that results in apoptosis. It is significant to study the interaction of small molecules with histone-DNA complex for the purpose of better understanding their mechanism of action, as well as designing novel and more effective drug compounds. The fluorescence quenching of ct-DNA upon interaction with Berberine has determined the binding of Berberine to ct-DNA with Ksv = 9.46 × 107 M-1. Ksv value of ct-DNA-Berberine in the presence of H1 has been observed to be 3.10 × 107 M-1, indicating that the H1 has caused a reduction in the binding affinity of Berberine to ct-DNA. In the competitive emission spectrum, ethidium bromide (EB) and acridine orange (AO) have been examined as intercalators through the addition of Berberine to ct-DNA complexes, which includes ctDNA-EB and ctDNA-AO. Although in the presence of histone H1 , we have observed signs of competition through the induced changes within the emission spectra, yet there has been apparently no competition between the ligands and probes. The viscosity results have confirmed the different behaviors of interaction between ctDNA and Berberine throughout the binary and ternary systems. We have figured out the IC50 and viability percent values at three different time durations of interaction between Berberine and MCF7 cell line. The molecular experiments have been completed by achieving the results of MTT assay, which have been confirmed to be in good agreement with molecular modeling studies.Communicated by Ramaswamy H. Sarma.


Assuntos
Berberina/metabolismo , Fenômenos Biofísicos , DNA/metabolismo , Histonas/metabolismo , Animais , Berberina/química , Berberina/farmacologia , Ligação Competitiva , Bovinos , Morte Celular/efeitos dos fármacos , DNA/química , Etídio/química , Histonas/química , Humanos , Concentração Inibidora 50 , Cinética , Células MCF-7 , Simulação de Acoplamento Molecular , Concentração Osmolar , Iodeto de Potássio/farmacologia , Estrutura Secundária de Proteína , Espalhamento de Radiação , Cloreto de Sódio/farmacologia , Espectrometria de Fluorescência , Termodinâmica , Viscosidade
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