Khaled Barakat, University of Alberta

Research

Immunotherapy Mode Of Action Target Identification Gastrointestinal Cancer Ctla-4 Immunological Response Melanoma

Latest papers

Residue-level insights into SGLT2 inhibition and Nav1.5 selectivity of gliflozin derivatives: A molecular dynamics and pharmacophore-guided study.
Journal of molecular graphics & modelling · 2026 · senior author
Late INa as a Therapeutic Target: New Strategies, Computational Modelling, Drug Development, and Clinical Translation.
Medicinal research reviews · 2026 · senior author
AI-MedCraft: A Strategy-Driven AI Platform for Multi-Objective Molecular Design.
Journal of chemical information and modeling · 2026 · first author

All 63 publications

Latest funding

Assessing DGK Alpha as the Key Target for a Promising Immunomodulatory Compound: Mechanism and Implications in cancer immunotherapy
CIHR · 2025 · Nominated PI
$738,226
Discovery of Potent and Selective DGK alpha Inhibitors
CIHR · 2025 · Supervisor
$140,000
CLAUD-IA: A Generative AI-Based Precision Medicine Framework for Claudin-Targeted Gastrointestinal Cancer Therapy
CIHR · 2025 · Nominated PI
$180,000

All 10 grants and awards

63 publications.

01

Residue-level insights into SGLT2 inhibition and Nav1.5 selectivity of gliflozin derivatives: A molecular dynamics and pharmacophore-guided study.

Chattopadhyay A, Mosa FES, Light PE, Barakat K

Journal of molecular graphics & modelling2026Senior author

DOI: 10.1016/j.jmgm.2026.109505 PMID: 42398488

02

Late INa as a Therapeutic Target: New Strategies, Computational Modelling, Drug Development, and Clinical Translation.

Chattopadhyay A, Lunsonga LC, Light PE, Barakat K

Medicinal research reviews2026Senior author

DOI: 10.1002/med.70077 PMID: 42464877

03

AI-MedCraft: A Strategy-Driven AI Platform for Multi-Objective Molecular Design.

Barakat K, Rojas Ruiz MJ, Ahmed H, Shahini E, Barakat Y

Journal of chemical information and modeling2026First author

DOI: 10.1021/acs.jcim.6c00329 PMID: 41894373

04

Multiscale computational analysis reveals enhanced allosteric modulation of Nav1.5 by dual binding of dapagliflozin and ertugliflozin.

Chattopadhyay A, Fatehi M, Mosa FES, Gruber B, Light PE, Barakat K

Scientific reports2025Senior author

DOI: 10.1038/s41598-025-30298-6 PMID: 41331039

05

Therapeutic potential of TIM-3 inhibition in cancer, viral infections, and autoimmune disorders.

Manzoor A, Barakat K

The international journal of biochemistry & cell biology2025Senior author

DOI: 10.1016/j.biocel.2025.106826 PMID: 40609833

06

Angiostatin-a novel SARS-CoV-2 inhibitor and biomarker underlying COVID-19 pathophysiology.

Franczak A, Joyce M, Lopez-Orozco J, Saffran HA, Saito M, Asgari A, Kalyaanamoorthy S, Barakat K, Hobman TC, Tyrrell DL, Jurasz P

Journal of thrombosis and haemostasis : JTH2025

DOI: 10.1016/j.jtha.2025.03.030 PMID: 40199448

07

Designing a multi-neoantigen vaccine for melanoma: Integrating immunoinformatics and biophysics methods.

Ismail S, Barakat K

Computers in biology and medicine2025Senior author

DOI: 10.1016/j.compbiomed.2025.110081 PMID: 40179808

08

Cardioprotective effect of 19,20-epoxydocosapentaenoic acid (19,20-EDP) in ischaemic injury involves direct activation of mitochondrial sirtuin 3.

Darwesh AM, Fang L, Altamimi TR, Jamieson KL, Bassiouni W, Valencia R, Huang A, Wang F, Zhang H, Ahmed M, Gopal K, Zhang Y, Michelakis ED, Ussher JR, Edin ML, Zeldin DC, Barakat K, Oudit GY, Kassiri Z, Lopaschuk GD, Seubert JM

Cardiovascular research2025

DOI: 10.1093/cvr/cvae252 PMID: 39658136

09

The sodium/glucose cotransporter 2 inhibitor Empagliflozin inhibits long QT 3 late sodium currents in a mutation specific manner.

Lunsonga LC, Fatehi M, Long W, Barr AJ, Gruber B, Chattopadhyay A, Barakat K, Edwards AG, Light PE

Journal of molecular and cellular cardiology2025

DOI: 10.1016/j.yjmcc.2024.11.014 PMID: 39631445

10

Combining machine learning, molecular dynamics, and free energy analysis for (5HT)-2A receptor modulator classification.

Yu X, Eid Y, Jama M, Pham D, Ahmed M, Attar MS, Samiuddin Z, Barakat K

Journal of molecular graphics & modelling2024Senior author

DOI: 10.1016/j.jmgm.2024.108842 PMID: 39151376

Assessing DGK Alpha as the Key Target for a Promising Immunomodulatory Compound: Mechanism and Implications in cancer immunotherapy

Nominated PICIHR2025Project Grant

Principal investigators: Barakat, Khaled H

Keywords: Immunotherapy; Mode Of Action; Target Identification

$738,226

Discovery of Potent and Selective DGK alpha Inhibitors

SupervisorCIHR2025Canada Postdoctoral Research Award (CPRA) program

Principal investigators: Mosa, Farag E

Keywords: Artificial Intelligence (Ai)-Driven Drug Discovery; Cancer Immunotherapy; Enzyme Inhibition; Immune-Oncology

$140,000

CLAUD-IA: A Generative AI-Based Precision Medicine Framework for Claudin-Targeted Gastrointestinal Cancer Therapy

Nominated PICIHR2025Op. Gr.:CIHR-NSERC / Canada-France Call for Proposals on Artificial Intelligence

Principal investigators: Barakat, Khaled H

Keywords: Gastrointestinal Cancer

$180,000

Nano-carriers of novel inhibitors of DNA repair for enhanced therapy in unresectable lung cancer

Co-investigatorCIHR2024Project Grant

Principal investigators: Lavasanifar, Afsaneh

Keywords: Cancer; Chemotherapy; Dna Damage; Dna Repair; Drug Delivery; Imaging; Nanotechnology; Radiotherapy

$868,275

CLAUD-IA: A Generative AI-Based Precision Medicine Framework for Claudin-Targeted Gastrointestinal Cancer Therapy

Principal investigatorNSERC2024International - Collaboration - ANR - AI

Principal investigators: Barakat, Khaled

Keywords: Life sciences (including biotechnology); Information systems and technology

$120,000

Synthetic analogues based on metabolites of omega-3 fatty acids protect mitochondria in aging hearts

Co-investigatorCIHR2023Project Grant

Principal investigators: Seubert, John M

Keywords: Aging; Cytochrome P450; Drug Development; Mitochondria; Omega-3 Pufa; Soluble Epoxide Hydrolase; Synthetic Compounds

$906,526

Synthetic analogues based on metabolites of omega-3 fatty acids protect mitochondria

Co-investigatorCIHR2022Project Grant

Principal investigators: Seubert, John M

Keywords: Aging; Cytochrome P450; Drug Development; Mitochondria; Omega-3 Pufa; Soluble Epoxide Hydrolase; Synthetic Compounds

$100,000

Investigating the cell-based activity of a new class of cytotoxic T-lymphocyte antigen-4 (CTLA-4) small molecule inhibitors

Nominated PICIHR2021Project Grant

Principal investigators: Barakat, Khaled H

Keywords: Ctla-4; Immunological Response; Immunotherapy; Melanoma

$508,726

Multiscale Computer Modeling to Evaluate Protein-Ligand Off-Target Interactions

Principal investigatorNSERC2020Discovery Grants Program - Individual

Principal investigators: Barakat, Khaled

$252,000

Atomistic Computational Models To Evaluate Protein-Ligand Off-Target Interactions

Principal investigatorNSERC2015Discovery Grants Program - Group

Principal investigators: Barakat, Khaled

$150,000

From CIHR, NSERC and SSHRC funding decisions: CIHR since 2008, NSERC since 1991 and SSHRC since 1998, including their latest published competition results.

Frequent collaborators

Oncology
Infectious Diseases
Medicine
Mike Petryk School of Dentistry
Biochemistry
Physiology
Other

Co-authors at University of Alberta, colored by department. Thicker lines mean more shared papers; select anyone to open their profile and their own map.

Michael Houghton

Medicine

7 shared papers, latest 2019

Jack Tuszynski

Oncology

6 shared papers, latest 2018

Shokrollah Elahi

Mike Petryk School of Dentistry

5 shared papers, latest 2023

Arno Siraki

Faculty

2 shared papers, latest 2021

Richard Fahlman

Faculty

2 shared papers, latest 2023

Deepali Kumar

Infectious Diseases

2 shared papers, latest 2014

Marek Michalak

Biochemistry

2 shared papers, latest 2018

Atul Humar

Infectious Diseases

2 shared papers, latest 2014

Zamaneh Kassiri

Physiology

1 shared papers, latest 2025

Karen Kopciuk

Oncology

1 shared papers, latest 2017

Paul Jurasz

Faculty

1 shared papers, latest 2025

Write to this professor

A short, specific email works best. This draft uses one of their recent papers; replace the parts in brackets with your own details before sending.

Applying for

Paper to mentionMention their CIHR grant from 2025

Subject: Prospective PhD student: Immunotherapy Dear Professor Barakat, My name is [your name], and I am a [your current degree or role] at [your institution]. I am applying for a PhD position starting in [term and year]. I read your paper "Residue-level insights into SGLT2 inhibition and Nav1.5 selectivity of gliflozin derivatives: A molecular dynamics and pharmacophore-guided study." (2026), and it connects closely to my own work on [your research topic]. [One or two sentences on what you did and what you learned.] I also saw your CIHR-funded project "Assessing DGK Alpha as the Key Target for a Promising Immunomodulatory Compound: Mechanism and Implications in cancer immunotherapy" (2025), and I would be glad to contribute to work in that direction. Are you accepting new PhD students for [term and year]? I have attached my CV and transcripts, and I would be glad to talk at a time that suits you. Thank you for your time. Kind regards, [your name]