Shafi U. Khan

Ring Road
Peshawar, KP 25120, Pakistan

Last Updated: 09/26/2026

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Found 60 publications

New mercaptoacrylate derivatives and other constituents from the stem bark of Senegalia polyacantha: in vitro antioxidant and antiplasmodial activities with in silico target validation.

New mercaptoacrylate derivatives and other constituents from the stem bark of Senegalia polyacantha: in vitro antioxidant and antiplasmodial activities with in silico target validation.

Journal: Naunyn-Schmiedeberg's archives of pharmacology

Published: February 23, 2026

RETRACTED: Khan et al. Norfloxacin Loaded Lipid Polymer Hybrid Nanoparticles for Oral Administration: Fabrication, Characterization, In Silico Modelling and Toxicity Evaluation. Pharmaceutics 2021, 13, 1632.

RETRACTED: Khan et al. Norfloxacin Loaded Lipid Polymer Hybrid Nanoparticles for Oral Administration: Fabrication, Characterization, In Silico Modelling and Toxicity Evaluation. Pharmaceutics 2021, 13, 1632.

Journal: Pharmaceutics

Published: December 02, 2025

In Silico Network Pharmacology, Molecular Docking, and Molecular Dynamics Analysis of Rosemary-Derived Compounds as Potential HSP90 Inhibitors for Cancer Therapy.

In Silico Network Pharmacology, Molecular Docking, and Molecular Dynamics Analysis of Rosemary-Derived Compounds as Potential HSP90 Inhibitors for Cancer Therapy.

Journal: Current issues in molecular biology

Published: September 19, 2025

In silico inhibition mechanism of α-amylase and α-glucosidase by fragransinic acid and bellericagenin B, two compounds from Combretum fragrans F. Hoffm (Combretaceae).

In silico inhibition mechanism of α-amylase and α-glucosidase by fragransinic acid and bellericagenin B, two compounds from Combretum fragrans F. Hoffm (Combretaceae).

Journal: Zeitschrift fur Naturforschung. C, Journal of biosciences

Published: August 30, 2025

Deep learning-guided discovery of selective JAK2-JH2 allosteric inhibitors: integration of MLP predictive modeling, BREED-based library design, and computational validation.

Deep learning-guided discovery of selective JAK2-JH2 allosteric inhibitors: integration of MLP predictive modeling, BREED-based library design, and computational validation.

Journal: Frontiers in chemistry

Published: June 13, 2025

Active control of single-photon spontaneous emission out-coupling enhancement by rotation modulation of hyperbolic metamaterials.

Active control of single-photon spontaneous emission out-coupling enhancement by rotation modulation of hyperbolic metamaterials.

Journal: iScience

Published: May 13, 2025

Discovery of Novel Natural Inhibitors of H5N1 Neuraminidase Using Integrated Molecular Modeling and ADMET Prediction.

Discovery of Novel Natural Inhibitors of H5N1 Neuraminidase Using Integrated Molecular Modeling and ADMET Prediction.

Journal: Bioengineering (Basel, Switzerland)

Published: April 30, 2025

Valorization of a Natural Compound Library in Exploring Potential Marburg Virus VP35 Cofactor Inhibitors via an In Silico Drug Discovery Strategy.

Valorization of a Natural Compound Library in Exploring Potential Marburg Virus VP35 Cofactor Inhibitors via an In Silico Drug Discovery Strategy.

Journal: Current issues in molecular biology

Published: April 23, 2025

Machine Learning-Guided Screening and Molecular Docking for Proposing Naturally Derived Drug Candidates Against MERS-CoV 3CL Protease.

Machine Learning-Guided Screening and Molecular Docking for Proposing Naturally Derived Drug Candidates Against MERS-CoV 3CL Protease.

Journal: International journal of molecular sciences

Published: February 26, 2025

UBE2N: Hope on the Cancer Front, How to Inhibit This Promising Target Prospect?

UBE2N: Hope on the Cancer Front, How to Inhibit This Promising Target Prospect?

Journal: Journal of medicinal chemistry

Published: January 14, 2025

Identification and Evaluation of Natural Compounds as Potential Inhibitors of NS2B-NS3 Zika Virus Protease: A Computational Approach.

Identification and Evaluation of Natural Compounds as Potential Inhibitors of NS2B-NS3 Zika Virus Protease: A Computational Approach.

Journal: Molecular biotechnology

Published: September 26, 2024

Design, synthesis and evaluation of novel norfloxacin analogs as potent anticancer and antioxidant agents.

Design, synthesis and evaluation of novel norfloxacin analogs as potent anticancer and antioxidant agents.

Journal: Future medicinal chemistry

Published: August 08, 2024

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Last Updated: 09/26/2026