Khaled Barakat
University of Alberta
H-index: 32
North America-Canada
Top articles of Khaled Barakat
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Identifying novel aryl hydrocarbon receptor (AhR) modulators from clinically approved drugs: In silico screening and In vitro validation | Archives of Biochemistry and Biophysics | Farag ES Mosa Mohammed A Alqahtani Mahmoud A El-Ghiaty Khaled Barakat Ayman OS El-Kadi | 2024/4/1 |
Investigating the Aryl Hydrocarbon Receptor Agonist/Antagonist Conformational Switch Using Well-Tempered Metadynamics Simulations | Journal of Chemical Information and Modeling | Farag ES Mosa Sara AlRawashdeh Ayman OS El-Kadi Khaled Barakat | 2024/3/8 |
Comparing the oxidative functions of neutrophil myeloperoxidase and cytochrome P450 enzymes in drug metabolism | Newton H Tran Farag ES Mosa Khaled Barakat Ayman OS El-Kadi Randy Whittal | 2024/3/7 | |
The immunological activities and transcriptome analysis of a potent small-molecule immunomodulator | Medicine in Drug Discovery | Yasser Tabana Shima Shahbaz Dinesh Babu Marawan Ahmed Tae Chul Moon | 2024/2/1 |
The Sodium/Glucose Cotransporter 2 Inhibitor Empagliflozin Inhibits Long QT 3 Late Sodium Currents in a Mutation Specific Manner | Cardiovascular diabetology | Arne Ring Tobias Brand Sreeraj Macha Kerstin Breithaupt-Groegler Gudrun Simons | 2013/12 |
Rapid synthesis of bovine serum albumin-conjugated gold nanoparticles using pulsed laser ablation and their anticancer activity on hela cells | Arabian Journal of Chemistry | SA Abdulateef Muna E Raypah AF Omar MZ Mat Jafri Naser M Ahmed | 2023/1/1 |
16R-HETE and 16S-HETE alter human cytochrome P450 1B1 enzyme activity probably through an allosteric mechanism | Molecular and Cellular Biochemistry | Rahmat Hidayat Sherif M Shoieb Farag ES Mosa Khaled Barakat Dion R Brocks | 2023/7/12 |
Adenosine triphosphate induced cell death: Mechanisms and implications in cancer biology and therapy | Hao-Ling Zhang Doblin Sandai Zhong-Wen Zhang Zhi-Jing Song Dinesh Babu | 2023/12/12 | |
Structural analysis of hERG channel blockers and the implications for drug design | Journal of Molecular Graphics and Modelling | Sara AlRawashdeh Suryanarayanan Chandrasekaran Khaled H Barakat | 2023/5/1 |
In-depth analysis of the interactions of various aryl hydrocarbon receptor ligands from a computational perspective | Journal of Molecular Graphics and Modelling | Farag ES Mosa Ayman OS El-Kadi Khaled Barakat | 2023/1/1 |
Proof of concept: Pull down assay using bovine serum albumin and an immunomodulator small molecule | Heliyon | Yasser Tabana Chih-Hsuan Lin Dinesh Babu Ramanaguru Siva‐Piragasam Ashley A Ponich | 2023/11/1 |
Angiostatin neutralizing peptides derived from atp synthase alpha subunit | 2023/4/27 | ||
Benchmarking of Small Molecule Feature Representations for hERG, Nav1. 5, and Cav1. 2 Cardiotoxicity Prediction | Journal of Chemical Information and Modeling | Issar Arab Kristof Egghe Kris Laukens Ke Chen Khaled Barakat | 2023/10/23 |
The Anticancer Potential of Psidium guajava (Guava) Extracts | Bronwyn Lok Dinesh Babu Yasser Tabana Saad Sabbar Dahham Mowaffaq Adam Ahmed Adam | 2023/1/28 | |
Target identification of small molecules: an overview of the current applications in drug discovery | Yasser Tabana Dinesh Babu Richard Fahlman Arno G Siraki Khaled Barakat | 2023/10/10 | |
Discovery of allosteric SHP2 inhibitors through ensemble-based consensus molecular docking, endpoint and absolute binding free energy calculations | Computers in Biology and Medicine | Maryam Jama Marawan Ahmed Anna Jutla Carson Wiethan Jitendra Kumar | 2023/1/1 |
Applications of Molecular Dynamics Simulations in Drug Discovery | Xubo Lin | 2022/1/1 | |
Leveraging structural and 2D-QSAR to investigate the role of functional group substitutions, conserved surface residues and desolvation in triggering the small molecule-induced … | BMC Chemistry | Marawan Ahmed Aravindhan Ganesan Khaled Barakat | 2022/6/27 |
ToxTree: Descriptor-based machine learning models to predict hERG and Nav1. 5 cardiotoxicity | Issar Arab Daniela Wonneberger Khaled Barakat | 2022/5/16 | |
A ‘deep dive’into the SARS-Cov-2 polymerase assembly: identifying novel allosteric sites and analyzing the hydrogen bond networks and correlated dynamics | Journal of Biomolecular Structure and Dynamics | Khaled Barakat Marawan Ahmed Yasser Tabana Minwoo Ha | 2022/11/26 |
Co-Authors
