Amar Ajmal

Mardan, KP 23200, Pakistan

Last Updated: 09/26/2026

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Found 19 publications

Machine learning-guided discovery of mitogen-activated protein kinase 7 (MAPK7 inhibitors): integrating virtual screening, docking, and molecular dynamics simulations.

Machine learning-guided discovery of mitogen-activated protein kinase 7 (MAPK7 inhibitors): integrating virtual screening, docking, and molecular dynamics simulations.

Journal: In silico pharmacology

Published: September 10, 2025

Targeting Yezo Virus Structural Proteins for Multi-Epitope Vaccine Design Using Immunoinformatics Approach.

Targeting Yezo Virus Structural Proteins for Multi-Epitope Vaccine Design Using Immunoinformatics Approach.

Journal: Viruses

Published: July 27, 2024

In vivo biological screening of extract and bioactive compound from Ficus benghalensis L. and their in silico molecular docking analysis.

In vivo biological screening of extract and bioactive compound from Ficus benghalensis L. and their in silico molecular docking analysis.

Journal: Technology and health care : official journal of the European Society for Engineering and Medicine

Published: July 20, 2024

In Silico Prediction of New Inhibitors for Kirsten Rat Sarcoma G12D Cancer Drug Target Using Machine Learning-Based Virtual Screening, Molecular Docking, and Molecular Dynamic Simulation Approaches.

In Silico Prediction of New Inhibitors for Kirsten Rat Sarcoma G12D Cancer Drug Target Using Machine Learning-Based Virtual Screening, Molecular Docking, and Molecular Dynamic Simulation Approaches.

Journal: Pharmaceuticals (Basel, Switzerland)

Published: February 28, 2024

In silico design of peptide inhibitors for Dengue virus to treat Dengue virus-associated infections.

In silico design of peptide inhibitors for Dengue virus to treat Dengue virus-associated infections.

Journal: Scientific reports

Published: November 19, 2023

Identification of novel and potential inhibitors against the dengue virus NS2B/NS3 protease using virtual screening and biomolecular simulations.

Identification of novel and potential inhibitors against the dengue virus NS2B/NS3 protease using virtual screening and biomolecular simulations.

Journal: International journal of biological macromolecules

Published: October 27, 2023

Prospective virtual screening combined with bio-molecular simulation enabled identification of new inhibitors for the KRAS drug target.

Prospective virtual screening combined with bio-molecular simulation enabled identification of new inhibitors for the KRAS drug target.

Journal: BMC chemistry

Published: October 26, 2023

In vivo analgesic, anti-inflammatory and molecular docking studies of S-naproxen derivatives.

In vivo analgesic, anti-inflammatory and molecular docking studies of S-naproxen derivatives.

Journal: Heliyon

Published: July 31, 2023

Structural and dynamics insights into the GBA variants associated with Parkinson's disease.

Structural and dynamics insights into the GBA variants associated with Parkinson's disease.

Journal: Journal of biomolecular structure & dynamics

Published: July 12, 2023

Identification of Drug Targets and Their Inhibitors in Yersinia pestis Strain 91001 through Subtractive Genomics, Machine Learning, and MD Simulation Approaches.

Identification of Drug Targets and Their Inhibitors in Yersinia pestis Strain 91001 through Subtractive Genomics, Machine Learning, and MD Simulation Approaches.

Journal: Pharmaceuticals (Basel, Switzerland)

Published: June 26, 2023

Novel flurbiprofen clubbed oxadiazole derivatives as potential urease inhibitors and their molecular docking study.

Novel flurbiprofen clubbed oxadiazole derivatives as potential urease inhibitors and their molecular docking study.

Journal: RSC advances

Published: June 08, 2023

Synthesis of new bis(dimethylamino)benzophenone hydrazone for diabetic management: In-vitro and in-silico approach.

Synthesis of new bis(dimethylamino)benzophenone hydrazone for diabetic management: In-vitro and in-silico approach.

Journal: Heliyon

Published: June 01, 2023

Showing 1-12 of 19

Last Updated: 09/26/2026