GALLIC ACID HYDRAZONES: ‘IN SILICO’ INHIBITION OF THIOREDOXIN REDUCTASE

1st International Conference on Chemo and BioInformatics, ICCBIKG  2021, (320-323)

AUTHOR(S) / АУТОР(И): Jovica Branković, Vesna Milovanović, Zorica D. Petrović, Vladimir P. Petrović

E-ADRESS / Е-АДРЕСА: jovica.brankovic@pmf.kg.ac.rs, vesna.milovanovic@pmf.kg.ac.rs, zorica.petrovic@pmf.kg.ac.rs, vladimir.petrovic@pmf.kg.ac.rs

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DOI: 10.46793/ICCBI21.320B

ABSTRACT / САЖЕТАК:

Gallic hydrazones, as gallic acid derivatives, are known as pharmacophores of numerous multipotent agents. Among them, antiproliferative activity is one of the most important. On the other hand, thioredoxin reductase (TrxR1) is a part of the thioredoxin system, one of the most important systems responsible for maintaining the redox equilibrium inside the cell. It is overexpressed in different forms of tumors. Bearing this in mind, TrxR1 is a valid target for the development of compounds with potential antiproliferative activity. For this purpose, eight gallic acid-based hydrazones are selected and examined in silico for their potential inhibitory activity towards TrxR1.

KEY WORDS / КЉУЧНЕ РЕЧИ:

Gallic acid, hydrazones, molecular docking, TrxR1

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