Design, Synthesis, Molecular Docking Study and Anti-Hepatocellular Carcinoma Evaluation of New Bis-Triazolothiadiazines-Reference-Cited by-同舟云学术

Design, Synthesis, Molecular Docking Study and Anti-Hepatocellular Carcinoma Evaluation of New Bis-Triazolothiadiazines

Published:2020-05-27 Issue:9 Volume:20 Page:788-800
ISSN:1389-5575
Container-title:Mini-Reviews in Medicinal Chemistry
language:en
Short-container-title:MRMC

Author:

Gomha Sobhi M.¹^ORCID,Muhammad Zeinab A.²,Ezz El-Arab Elham²,Elmetwally Amira M.²,El-Sayed Abdelaziz A.¹,Matar Islam K.³^ORCID

Affiliation:

1. Department of Chemistry, Faculty of Science, Islamic University in Almadinah Almonawara, Almadinah Almonawara, 42351, Saudi Arabia

2. Organic Chemistry Department, National Organization for Drug Control and Research (NODCAR), Giza 12311, Egypt

3. Majecules LLC., Cairo 11361, Egypt

Abstract

Objective: The reaction of bis(4-amino-4H-1,2,4-triazole-3-thiol) with hydrazonoyl halides and α-halo-ketones gave a new series of bis-1,2,4-triazolo[3,4-b]thiadiazine derivatives. Methods: The structure of the new products was established on the basis of their elemental and spectral data (mass, 1H NMR, 13C NMR and IR) and an alternate method. Results: Several of the synthesized products were subjected to in vitro anticancer screening against human hepatocellular carcinoma (HepG-2) and the results showed that compounds 16, 14 and 12 have promising activities (IC50 value of 24.8±9.1, 28.3±0.5, and 31±2.9μM, respectively) compared with Harmine reference drug (IC50 value of 22.4±1.11 μM). Conclusion: Moreover, molecular docking studies were performed to analyze the binding modes of the discovered hits into the active site of DYRK1A using iGEMDOCK.

Publisher

Bentham Science Publishers Ltd.

Subject

Drug Discovery,Pharmacology,General Medicine

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