[HTML][HTML] Exploring the latest trends in chemistry, structure, coordination, and diverse applications of 1-acyl-3-substituted thioureas: a comprehensive review

SA Ullah, A Saeed, M Azeem, MB Haider, MF Erben - RSC advances, 2024 - pubs.rsc.org
Acyl thioureas represent a privileged moiety with vast potential applicability across diverse
fields, making them the subject of extensive research efforts. The inherent flexibility of …

Virtual screening, molecular docking, and dynamic simulations revealed TGF-β1 potential inhibitors to curtail cervical cancer progression

PK Poleboyina, U Naik, A Pasha, D Ravinder… - Applied Biochemistry …, 2024 - Springer
Cervical cancer is one of the main causes of cancer death in women globally, and its
epidemiology is similar to that of a low-infectious venereal illness. Many sexual partners and …

Mechanistic insights and therapeutic implications of novel pyrazoline derivatives on antioxidant and enzymatic inhibitory activities

I Selatnia, OMA Khamaysa, AG Soliman… - Journal of Molecular …, 2024 - Elsevier
One of the major features of medicinal chemistry, is the synthesis of novel compounds, and
the assessment of their biological activities for potential therapeutic applications. As a …

4, 5-difluoro-2-((m-tolylimino) methyl) phenol: Investigations on a synthesized Schiff base with in silico medicinal approaches and DFT studies

S Şahin - Journal of Molecular Structure, 2024 - Elsevier
A new Schiff base structure, 4, 5-difluoro-2-((m-tolylimino) methyl) phenol was synthesized
and characterized. The DFT studies were performed at the B3LYP level with the 6–311++ G …

Novel thiourea derivatives against Mycobacterium tuberculosis: synthesis, characterization and molecular docking studies

E Kutlu, FM Emen, K Yıldırım, C Ataş… - … , Sulfur, and Silicon …, 2023 - Taylor & Francis
Abstract N-((2-chloropyridin-3-yl) carbamothioyl) thiophene-2-carboxamide (HL1), N-((6-
methylpyridin-2-yl) carbamothioyl) thiophene-2-carboxamide (HL2), N-(allylcarbamothioyl) …

Synthesis, Structural Elucidation, In Silico and In Vitro Studies of New Class of Methylenedioxyphenyl-Based Amide Derivatives as Potential Myeloperoxidase …

R Rajan, S Karthikeyan, R Desikan - ACS omega, 2024 - ACS Publications
Novel methylenedioxyphenyl-based amides, especially N-(4-methoxybenzyl)-6-nitrobenzo-
[1, 3]-dioxole-5-carboxamide (MDC) and N-(3-acetylphenyl)-6-nitrobenzo-[1, 3]-dioxole-5 …

Homology Modeling, Screening, and Identification of Potential FOXO6 Inhibitors Curtail Gastric Cancer Progression: an In Silico Drug Repurposing Approach

SM Poleboyina, PK Poleboyina, SC Pawar… - Applied Biochemistry …, 2023 - Springer
Gastric cancer is the world's second leading cause of cancer-related fatalities, with the
epidemiology changing over the previous several decades. FOXOs are the O subfamily of …

New 1-Arylmethyl-3-Benzoyl/Cyclopropanoyl Thioureas as inhibitors of AGS cell line migration: Synthesis, biological evaluation and molecular dynamics

M Sagha, KA Mortazavi, JA Shiran, AA Tehrani… - Journal of Molecular …, 2024 - Elsevier
Human gastric adenocarcinoma is one of the common malignant tumors that is highly
responsible for cancer-associated mortality. Besides available treatment strategies, patients …