Hina Sarfraz

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...

Identification, Design and Computational Insights of Hybrid Thiadiazole Linked Fused Thiazole-Isoxazole as Potent Dual Inhibitor of AChE/BChE Alzheimer's Disease

Alzheimer’s disease (AD), involves progressive cognitive impairment primarily associated with cholinergic dysfunction. Dual inhibition of acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) continue to represent a validated and clinically relevant therapeutic approach for alleviating cholinergic deficits in...

Antimicrobial Peptides Targeting Salmonella enterica serovar Typhi: Mechanism of Action, Structural Insights, and Translational Challenges - A Review.

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.

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...

Modeling Structure-Activity Relationships with Machine Learning to Identify DPP4 Inhibitors as potential Therapeutics for Type 2 Diabetes

Findings identify CP20 as a promising lead scaffold for the development of novel DPP4 inhibitors and demonstrate the effectiveness of an ensemble machine learning-guided computational framework for accelerating antidiabetic drug discovery.

Multitargeted drug strategies for Alzheimer’s and Parkinson’s diseases

Recent advances in multitarget drug development for AD and PD targeting compounds targeting Aβ, BACE1, MAO-B, cholinesterases, metal-ion dyshomeostasis, oxidative stress, and inflammatory pathways are reviewed.