Potential thiosemicarbazone‐based enzyme inhibitors: Assessment of antiproliferative activity, metabolic enzyme inhibition properties, and molecular docking calculations

Yakan, Hasan; Koçyiğit, Ümit M.; MUĞLU, Halit; Ergül, Mustafa; Erkan, Sultan; Güzel, Emre; Taslımı, Parham; Gülçin, İlhami

doi:10.1002/jbt.23018

Potential thiosemicarbazone‐based enzyme inhibitors: Assessment of antiproliferative activity, metabolic enzyme inhibition properties, and molecular docking calculations

Yazarlar (8)

Doç. Dr. Hasan Yakan Ondokuz Mayis Üniversitesi, Türkiye

Ümit M. Koçyiğit Cumhuriyet Üniversitesi, Türkiye

Prof. Dr. Halit MUĞLU Kastamonu Üniversitesi, Türkiye

Mustafa Ergül Cumhuriyet Üniversitesi, Türkiye

Sultan Erkan Cumhuriyet Üniversitesi, Türkiye

Prof. Dr. Emre Güzel Sakarya Uygulamalı Bilimler Üniversitesi, Türkiye

Doç. Dr. Parham Taslımı Bartın Üniversitesi, Türkiye

İlhami Gülçin Atatürk Üniversitesi, Türkiye

Makale Türü	Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı	Journal of Biochemical and Molecular Toxicology (Q3)
Dergi ISSN	1095-6670 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler	SCI-Expanded
Makale Dili	İngilizce	Basım Tarihi	05-2022
Cilt / Sayı / Sayfa	36 / 5 / –	DOI	10.1002/jbt.23018
Makale Linki	http://dx.doi.org/10.1002/jbt.23018

Özet

A new series of thiosemicarbazone derivatives (1–11) were prepared from various aldehydes and isocyanates with high yields and practical methods. The structures of these compounds were elucidated by Fourier transform infrared, ¹H-nuclear magnetic resonance (NMR), ¹³C-NMR spectroscopic methods and elemental analysis. Cytotoxic effects of target compounds were determined by 2,3-bis-(2-methoxy-4-nitro-5-sulfophenyl)-2H-tetrazolium-5-carboxanilide assay and compound 1 showed significant cytotoxic activity against both MCF-7 and MDA-MB-231 cells, with half-maximal inhibitory concentration values of 2.97 μM and 6.57 μM, respectively. Moreover, in this study, the anticholinergic and antidiabetic potentials of these compounds were investigated. To this aim, the effect of the newly synthesized thiosemicarbazone derivatives on the activities of acetylcholinesterase (AChE) and αglycosidase (α-Gly) was evaluated spectrophotometrically. The title compounds demonstrated high inhibitory activities compared to standard inhibitors with Ki values in the range of 122.15–333.61 nM for α-Gly (Ki value for standard inhibitor = 75.48 nM), 1.93–12.36 nM for AChE (Ki value for standard inhibitor = 17.45 nM). Antiproliferative activity and enzyme inhibition at the molecular level were performed molecular docking studies for thiosemicarbazone derivatives. 1M17, 5FI2, and 4EY6, 4J5T target proteins with protein data bank identification with (1–11) compounds were docked for anticancer and enzyme inhibition, respectively.

Anahtar Kelimeler

antiproliferative activity | enzyme inhibition | molecular docking | Schiff base | thiosemicarbazone

BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
Scopus	23

Potential thiosemicarbazone‐based enzyme inhibitors: Assessment of antiproliferative activity, metabolic enzyme inhibition properties, and molecular docking calculations

Dergi Adı	JOURNAL OF BIOCHEMICAL AND MOLECULAR TOXICOLOGY
Yayıncı	John Wiley & Sons Inc.
Açık Erişim	Hayır
ISSN	1095-6670
E-ISSN	1099-0461
CiteScore	6,0
SJR	0,772
SNIP	0,725

Potential thiosemicarbazone‐based enzyme inhibitors: Assessment of antiproliferative activity, metabolic enzyme inhibition properties, and molecular docking calculations

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