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Author

Rafaqat Hussain

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Oct 2026

Computationally Guided Design and Biological Evaluation of New Benzoxazole Bridged thiazole based 1,3-Oxazole Conjugates as Potential Anti-Alzheimer's Agents: Molecular Docking, DFT and sADMET Studies

Alzheimer's disease (AD) remains one of the most devastating neurodegenerative disorders, characterized by progressive cognitive impairment associated with cholinergic dysfunction. In pursuit of potent dual cholinesterase inhibitors, a series of structurally diverse benzoxazole linked thiazole based 1,3-oxazole molec...

Syeda Farwa Naqvi, Hina Sarfraz, Abdul Rehman et al. · 0 citations
Oct 2026

Integrating in vitro and in silico correlation of thiazole-based carboxamide derivatives as promising SARS-CoV-2 papain-like protease inhibitors: a versatile approach for COVID-19 therapy

Abstract A new series of thiazole-based carboxamide derivatives (5–12) was designed, synthesized with structural elucidation performed using standard spectroscopic techniques including NMR and HRMS. The synthesized compounds were evaluated for their inhibitory activity against SARS-CoV-2 papain-like protease (PLpro) an...

Imran Khan, Rafaqat Hussain, Hina Sarfraz et al. · 0 citations
Sep 2026

Design, synthesis and multitarget evaluation of cyclopropyl-appended thiohydantoin derivatives as dual cholinesterase and COX inhibitors with antioxidant activity: a combined experimental and computational study

Together with their dual cholinesterase inhibitory activities, compounds 6a and 6c represent promising multifunctional in vitro lead candidates for further development against neurodegenerative disorders associated with neurodegenerative disorders associated with neuroinflammation and oxidative stress.

Amina Hussain, Rafaqat Hussain, Hina Sarfraz et al. · 0 citations
Aug 2026

Development of SARS-CoV-2 papain-like protease inhibitors with a thiadiazole and oxadiazole linker

The integrated rational design-based synthesis, biological evaluation, and computational investigations collectively identified thiadiazole/oxadiazole scaffolds as promising candidates for the development of SARS-CoV-2 inhibitors, offering valuable insights for next-generation antiviral agents targeting coronavirus pro...

Rafaqat Hussain, Hina Sarfraz, T. Chohan et al. · 0 citations

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