Nusrat Shafiq

18PUBLICATIONS
19CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designBiologically active moleculesFood technologyMolecular targets
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Publications (18)

|Mar 16, 2026
<i>De Novo</i> Drug Design, Synthesis, Biological Evaluation, and Structural Examination of Novel Coumarin-Based Pyrimidine Co-Drugs Accompanied by Molecular Docking and DFT Studies.

Nida Naz, Zill-I-Huma Nazli, Shagufta Parveen

|Dec 08, 2025
Investigating chronic myeloid leukemia therapeutics: AI-optimized design and synthesis of 4-methylthiazole-2-amine derivatives with translocation control activity.

Zaheer Ahmad, Labaina Shakoor, Sajid Mahmood

|Aug 28, 2025
Flavonols as potent inhibitors of tyrosinase & pancreatic lipase: synthesis, docking, MD simulation, DFT, and ADMET.

Ehsan Ullah Mughal, Nafeesa Naeem, Ayza Jabeen

|Jul 14, 2025
<i>De novo</i> drug design and biological evaluation of coumarin-pyrimidine co-drug derivatives as diabetic inhibitors: expanding a multi-algorithm approach with the integration of machine learning in pharmaceutical research.

Maryam Rashid, Warda Sarwar, Shagufta Parveen

|Jan 23, 2025
An integrated theoretical study on natural alkaloids as SARS-CoV-2 main protease inhibitors: a step toward discovery of potential drug candidates with anti-COVID-19 activity.

Shagufta Parveen, Laiba Shahbaz, Nusrat Shafiq

|Nov 04, 2024
Biochemical Screening, <i>In-vitro</i> and <i>In-silico</i> Characterization of <i>Citrullus colocynthis</i> Fruit Extracts: A Combined Experimental and Computation Study.

Syeda Aaliya Shehzadi, Muhammad Ayaz Ashraf, Nusrat Shafiq

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Frequent Collaborators

3 joint publications

Maryam Rashid

3 joint publications

Shagufta Parveen

2 joint publications

Uzma Arshad

2 joint publications

Simone Brogi