Novel pyrimidine linked acyl thiourea derivatives as potent α-amylase and proteinase K inhibitors: design, synthesis, molecular docking and ADME studies

Hina Zaman, Aamer Saeed, Hammad Ismail, Sadaf Anwaar, Muhammad Latif, Muhammad Zaffar Hashmi and Hesham R. El-Seedi

RSC Adv., 2024,14, 33235-33246

Abstract

To discover promising therapeutic agents, novel diaryl pyrimidine linked acyl thiourea derivatives (6a–j) were designed and synthesized via straightforward and multistep synthesis.

Tools to enable the study and translation of supramolecular amphiphiles

Thomas Allam, Dominick E. Balderston, Mandeep K. Chahal, Kira L. F. Hilton, Charlotte K. Hind, Olivia B. Keers, Rebecca J. Lilley, Chandni Manwani, Alix Overton, Precious I. A. Popoola, Lisa R. Thompson, Lisa J. White and Jennifer R. Hiscock

Chem. Soc. Rev., 2023,52, 6892-6917

From themed collection: Supramolecular Chemistry

Abstract

We present key methodologies, illustrated with key case studies, to enable the study of supramolecular amphiphiles and support technology translation.

Design, synthesis, and structure–activity relationship studies of 4-substituted phenylpyrazolidinone derivatives as potent Ku70/80 targeted DNA-PK inhibitors

Narva Deshwar Kushwaha, Pamela VanderVere-Carozza, Tyler L. Vernon, Pamela L. Mendoza-Munoz, Jitender D. Gaddameedi, Karim Ben Ali Gacem, Joseph Engel, Jean-Baptiste Charbonnier, Navnath S. Gavande and John J. Turchi

RSC Med. Chem., 2025,16, 5534-5561

Abstract

In this study, we report a comprehensive structure–activity relationship (SAR) analysis of early generation Ku–DNA binding inhibitors (Ku-DBi's) that block the Ku interaction with DNA and inhibit DNA-PK kinase activity.

Synthesis, in vitro biological evaluation and in silico studies of novel pyrrolidine derived thiosemicarbazones as dihydrofolate reductase inhibitors

Hina Aftab, Saeed Ullah, Ajmal Khan, Mariya al-Rashida, Talha Islam, Abdulrahman Alshammari, Norah A. Albekairi, Parham Taslimi, Ahmed Al-Harrasi, Zahid Shafiq and Saeed Alghamdi

RSC Adv., 2024,14, 31409-31421

Abstract

Dihydrofolate reductase (DHFR) is a crucial enzyme involved in folate metabolism and serves as a prime target for anticancer and antimicrobial therapies.

Exploring N-heterocyclic linked novel hybrid chalcone derivatives: synthesis, characterization, evaluation of antidepressant activity, toxicity assessment, molecular docking, DFT and ADME study

Hemant S. Deshmukh, Vishnu A. Adole, Sanjay B. Wagh, Vijay M. Khedkar and Bapu S. Jagdale

RSC Adv., 2025,15, 16187-16210

Abstract

Twelve N-heterocycle chalcones were synthesized, characterized, and screened. Benzo[d][1,2,3]triazolyl chalcones showed notable antidepressant activity. Docking studies revealed strong binding affinity.