Related Experiment Video

Updated: Sep 16, 2026

Functionalized Spirocyclic Heterocycle Synthesis and Cytotoxicity Assay

Functionalized Spirocyclic Heterocycle Synthesis and Cytotoxicity Assay

Published on: February 9, 2021

Design, Synthesis, and Investigation of the Biological Activities of New Thiadiazole Derivatives With Anticancer

Yusuf Özkay^1,2, Enes Bal³, Berkant Kurban^4,5

¹Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, Eskişehir, Türkiye.

Chemical Biology & Drug Design

|September 15, 2026

Abstract:

Breast cancer is one of the most significant diseases in today's world. Hormone-dependent breast cancers constitute a significant portion of breast cancers. A series of thiadiazole derivative compounds have been designed to provide a rational alternative to aromatase inhibitors, which are actively used in related cancer treatments. The designed compounds were synthesized in three steps, and their structures were elucidated using ¹H-NMR, ¹³C-NMR, and HRMS spectroscopic methods. The inhibitory potentials of the obtained compounds were investigated using in vitro and in silico methods. In the studies conducted, compound 3c stood out with its scores and values. Compound 3c demonstrated inhibitory activity with an IC₅₀ of 4.896 ± 0.210 μM against the tested cell line and an IC₅₀ of 0.078 ± 0.003 μM against aromatase.

Keywords:

breast cancer molecular docking molecular dynamics thiadiazole

Related Concept Videos

Structure-Activity Relationships and Drug Design

Structure-Activity Relationships and Drug Design

Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...

Pharmacogenetics of Drug Targets: β₂-Adrenergic Receptors, Apo E, Thymidylate Synthase

Pharmacogenetics of Drug Targets: β₂-Adrenergic Receptors, Apo E, Thymidylate Synthase

Genetic polymorphisms in drug targets have emerged as critical determinants of interindividual variability in drug response and toxicity. Pharmacogenomic investigations increasingly focus on identifying these variations to personalize and optimize therapeutic interventions. A drug target may be a receptor, enzyme, or signaling protein involved in pharmacologic responses or disease-related pathways. While early pharmacogenetic studies focused primarily on drug metabolism, current research...

Drug Discovery: Overview

Drug Discovery: Overview

Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...

Antihypertensive Drugs: Thiazide-Class Diuretics

Antihypertensive Drugs: Thiazide-Class Diuretics

Thiazide diuretics are sulfonamide derivatives featuring a benzothiadiazine ring system in their molecular structure. Based on this structure, thiazide diuretics can be categorized into two groups: thiazide-type and thiazide-like diuretics. Thiazide-type diuretics, including hydrochlorothiazide and chlorothiazide, consist of a benzothiadiazine backbone with an attached sulfonamide group. Thiazide-like diuretics, such as chlorthalidone and indapamide, lack the thiazide ring but demonstrate...

Articles linked to this work by shared authors, journal, and citation graph.

Synthesis, Structural Characterization, and Investigation of Biological Effects of Novel Benzothiazole-Triazole Derivatives Designed as AKT Kinase Inhibitors.

Chemical biology & drug design·2026

Design, Synthesis and Molecular Docking Studies of Some Novel Hydrazone Derivatives Based on Trimetazidine as Selective and Potent AChE Inhibitors.

Drug development research·2026

From Fragments to Function: Novel Hydrazone Derivatives as Monoamine Oxidase Inhibitors.

ChemMedChem·2026

Identification of Novel Small-Molecule Janus Kinase 1 and 2 Inhibitors Through Structure-Based Virtual Screening, In Vitro Assays, and Molecular Dynamics Simulations.

ACS omega·2026

Design, Synthesis, In Silico ADME, Toxicity Prediction and Molecular Docking Studies of Benzimidazole-Oxadiazole Derivatives for α-Glucosidase and Aldose Reductase Pathways as Potent Anti-Diabetic Agents.

Molecules (Basel, Switzerland)·2026

[Investigation of the In Vitro and In Vivo Antimalarial Activity of Styrax liquidus Extracts].

Mikrobiyoloji bulteni·2026

See all related articles