Shoaib Khan

Abbottabad, KP 22500, Pakistan

Last Updated: 09/26/2026

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Found 71 publications

Pharmacophore-guided computational profiling of thiadiazole-based therapeutic addressing flap necrosis: Molecular simulation, DFT mapping, pharmacokinetic and kinetic evaluation.

Pharmacophore-guided computational profiling of thiadiazole-based therapeutic addressing flap necrosis: Molecular simulation, DFT mapping, pharmacokinetic and kinetic evaluation.

Journal: Computational biology and chemistry

Published: June 25, 2026

Tailored pyrazolone-oxadiazole frameworks: synthetic execution, functional enzyme studies, and comprehensive docking-DFT-based antidiabetic investigation.

Tailored pyrazolone-oxadiazole frameworks: synthetic execution, functional enzyme studies, and comprehensive docking-DFT-based antidiabetic investigation.

Journal: Future medicinal chemistry

Published: May 11, 2026

Enzyme kinetics-guided evaluation of thiazine hybrids targeting α-amylase and α-glucosidase with in vivo validation.

Enzyme kinetics-guided evaluation of thiazine hybrids targeting α-amylase and α-glucosidase with in vivo validation.

Journal: Chemico-biological interactions

Published: March 05, 2026

Deciphering enzyme inhibition of thiazole assemblies for diabetes management via molecular docking, dynamic simulation, DFT and kinetic study: A computational therapeutic strategy.

Deciphering enzyme inhibition of thiazole assemblies for diabetes management via molecular docking, dynamic simulation, DFT and kinetic study: A computational therapeutic strategy.

Journal: Computational biology and chemistry

Published: January 08, 2026

Retraction Note: Potential biological applications of environment friendly synthesized iron oxide nanoparticles using Sageretia thea root extract.

Retraction Note: Potential biological applications of environment friendly synthesized iron oxide nanoparticles using Sageretia thea root extract.

Journal: Scientific reports

Published: December 09, 2025

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

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

Journal: Chemical biology & drug design

Published: October 30, 2025

Computationally driven discovery of thieno-pyridine thiadiazoles: a synthesis, DFT, docking and dynamics roadmap toward multitarget antidiabetic therapy.

Computationally driven discovery of thieno-pyridine thiadiazoles: a synthesis, DFT, docking and dynamics roadmap toward multitarget antidiabetic therapy.

Journal: Journal of computer-aided molecular design

Published: October 29, 2025

Synthesis, in vitro and kinetic study of thiazolidinone derivatives: insight from a network medicinal approach for thymidine phosphorylase and alpha glucosidase.

Synthesis, in vitro and kinetic study of thiazolidinone derivatives: insight from a network medicinal approach for thymidine phosphorylase and alpha glucosidase.

Journal: Future medicinal chemistry

Published: October 28, 2025

Tailored pyrrole-based imidazothiazole scaffolds: Synthetic elaboration, enzyme kinetic profiling and DFT-guided molecular docking toward Antidiabetic therapeutics.

Tailored pyrrole-based imidazothiazole scaffolds: Synthetic elaboration, enzyme kinetic profiling and DFT-guided molecular docking toward Antidiabetic therapeutics.

Journal: Computational biology and chemistry

Published: October 25, 2025

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

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

Journal: 3 Biotech

Published: September 04, 2025

Macromolecular scaffolds with nitrogen-sulfur motifs: Dual α-glucosidase and urease inhibition with molecular docking and mechanistic evaluation.

Macromolecular scaffolds with nitrogen-sulfur motifs: Dual α-glucosidase and urease inhibition with molecular docking and mechanistic evaluation.

Journal: International journal of biological macromolecules

Published: August 14, 2025

Design-led synthesis and multidimensional evaluation of novel thiadiazoles as multitarget anti-Alzheimer agents: kinetics, DFT and in silico mapping.

Design-led synthesis and multidimensional evaluation of novel thiadiazoles as multitarget anti-Alzheimer agents: kinetics, DFT and in silico mapping.

Journal: Bioorganic chemistry

Published: July 26, 2025

Showing 1-12 of 71

Last Updated: 09/26/2026