Iqra Ali

Islamabad, IS, Pakistan

Last Updated: 09/26/2026

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Found 13 publications

Unveiling the structural insights and inhibitory potential of coumarin-1,2,3-triazole hybrids against BACE1: a promising approach for Alzheimer's disease therapy.

Unveiling the structural insights and inhibitory potential of coumarin-1,2,3-triazole hybrids against BACE1: a promising approach for Alzheimer's disease therapy.

Journal: Frontiers in chemistry

Published: March 06, 2026

Computational discovery of BRD4 inhibitors for neuroblastoma therapy using pharmacophore screening and molecular simulations.

Computational discovery of BRD4 inhibitors for neuroblastoma therapy using pharmacophore screening and molecular simulations.

Journal: Scientific reports

Published: January 09, 2025

Author Correction: On discovery of novel hub genes for ER+ and TN breast cancer types through RNA seq data analyses and classification models.

Author Correction: On discovery of novel hub genes for ER+ and TN breast cancer types through RNA seq data analyses and classification models.

Journal: Scientific reports

Published: October 14, 2024

Cohesive data analysis for the identification of prognostic hub genes and significant pathways associated with HER2 + and TN breast cancer types.

Cohesive data analysis for the identification of prognostic hub genes and significant pathways associated with HER2 + and TN breast cancer types.

Journal: Scientific reports

Published: September 12, 2024

Computational exploration and molecular dynamic simulation for the discovery of antiviral agents targeting Newcastle disease virus.

Computational exploration and molecular dynamic simulation for the discovery of antiviral agents targeting Newcastle disease virus.

Journal: Microbial pathogenesis

Published: March 30, 2024

On discovery of novel hub genes for ER+ and TN breast cancer types through RNA seq data analyses and classification models.

On discovery of novel hub genes for ER+ and TN breast cancer types through RNA seq data analyses and classification models.

Journal: Scientific reports

Published: March 06, 2024

Identification of lead compound screened from the natural products atlas to treat renal inflammasomes using molecular docking and dynamics simulation.

Identification of lead compound screened from the natural products atlas to treat renal inflammasomes using molecular docking and dynamics simulation.

Journal: Journal of biomolecular structure & dynamics

Published: September 14, 2023

In-silico design, pharmacophore-based screening, and molecular docking studies reveal that benzimidazole-1,2,3-triazole hybrids as novel EGFR inhibitors targeting lung cancer.

In-silico design, pharmacophore-based screening, and molecular docking studies reveal that benzimidazole-1,2,3-triazole hybrids as novel EGFR inhibitors targeting lung cancer.

Journal: Journal of biomolecular structure & dynamics

Published: August 30, 2023

In-silico identification and exploration of small molecule coumarin-1,2,3-triazole hybrids as potential EGFR inhibitors for targeting lung cancer.

In-silico identification and exploration of small molecule coumarin-1,2,3-triazole hybrids as potential EGFR inhibitors for targeting lung cancer.

Journal: Molecular diversity

Published: August 14, 2023

Computational exploration of novel ROCK2 inhibitors for cardiovascular disease management; insights from high-throughput virtual screening, molecular docking, DFT and MD simulation.

Computational exploration of novel ROCK2 inhibitors for cardiovascular disease management; insights from high-throughput virtual screening, molecular docking, DFT and MD simulation.

Journal: PloS one

Published: August 01, 2023

Identification and exploration of quinazoline-1,2,3-triazole inhibitors targeting EGFR in lung cancer.

Identification and exploration of quinazoline-1,2,3-triazole inhibitors targeting EGFR in lung cancer.

Journal: Journal of biomolecular structure & dynamics

Published: April 28, 2023

In-silico identification of small molecule benzofuran-1,2,3-triazole hybrids as potential inhibitors targeting EGFR in lung cancer via ligand-based pharmacophore modeling and molecular docking studies.

In-silico identification of small molecule benzofuran-1,2,3-triazole hybrids as potential inhibitors targeting EGFR in lung cancer via ligand-based pharmacophore modeling and molecular docking studies.

Journal: In silico pharmacology

Published: March 25, 2023

Showing 1-12 of 13

Last Updated: 09/26/2026