Shoaib Khan

31PUBLICATIONS
38CO-AUTHORS
Biomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsBiologically active moleculesComputational neuroscience (incl. mathematical neuroscience and theoretical neuroscience)Haematological tumours
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Publications (31)

|Oct 24, 2026
Strategic development of benzimidazole-derived glycosidase modulators for antihyperglycemic intervention: a comprehensive medicinal study integrating molecular docking, biological evaluation, in vivo validation and pharmacokinetic assessment.

|Oct 16, 2026
Computer-aided development of novel thiazolidinone-thiazole derivatives: multidimensional structure-activity relationships revealed by quantum chemical analysis, molecular docking and biological investigation.

|Mar 09, 2026
Integrative Experimental Paradigm of Oxadiazole-Schiff Base Hybrids: Pharmacophore-Driven Docking Simulations and DFT Insights Toward Antidiabetic Therapeutic Discovery.

Aisha Bibi, Mostafa E Salem, Shoaib Khan

|Dec 31, 2025
From concept to simulations: computational and experimental assessment of thiadiazole-thiazolidinone hybrid chalcones for anti-alzheimer potentials.

Muhammad Bilal Khan, Shoaib Khan, Tayyiaba Iqbal

|Sep 09, 2025
Thiazole-Thiadiazole Compounds for Enzymatic Modulation and Therapeutic Targeting in Diabetes Mellitus.

Shoaib Khan, Tayyiaba Iqbal, Sobhi M Gomha

|Aug 27, 2025
Computationally Driven Exploration of Novel bis-Thiadiazole Sulfonamides as Alzheimer's Enzyme Inhibitors: A DFT and Kinetic Perspective.

Farman Ullah, Shoaib Khan, Tayyiaba Iqbal

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Frequent Collaborators

6 joint publications

Yousaf Khan

6 joint publications

Hayat Ullah

5 joint publications

Rashid Iqbal

4 joint publications

Rafaqat Hussain