Khlood A A Abdeljawaad

9PUBLICATIONS
19CO-AUTHORS
Medical infection agents (incl. prions)BacteriologyBiological network analysisMolecular targetsMolecular medicine
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Publications (9)

|Oct 14, 2025
pH modulates amyloid-β42 conformation in lipid membranes: evidence from circular dichroism, Raman spectroscopy, and molecular dynamics simulations.

Khlood A A Abdeljawaad, Yersultan Arynbek, Kahramon Mamatkulov

|Nov 25, 2024
Benzothiazinone analogs as Anti-Mycobacterium tuberculosis DprE1 irreversible inhibitors: Covalent docking, validation, and molecular dynamics simulations.

Mahmoud A A Ibrahim, Doaa G M Mahmoud, Alaa H M Abdelrahman

|Aug 12, 2023
Pyronaridine as a Bromodomain-Containing Protein 4-N-Terminal Bromodomain (BRD4-BD1) Inhibitor: In Silico Database Mining, Molecular Docking, and Molecular Dynamics Simulation.

Mahmoud A A Ibrahim, Mahmoud M H Abdelhamid, Khlood A A Abdeljawaad

|Jul 29, 2023
In-Silico Mining of the Toxins Database (T3DB) towards Hunting Prospective Candidates as ABCB1 Inhibitors: Integrated Molecular Docking and Lipid Bilayer-Enhanced Molecular Dynamics Study.

Mahmoud A A Ibrahim, Khlood A A Abdeljawaad, Alaa H M Abdelrahman

|Jul 26, 2023
SuperNatural inhibitors to reverse multidrug resistance emerged by ABCB1 transporter: Database mining, lipid-mediated molecular dynamics, and pharmacokinetics study.

Mahmoud A A Ibrahim, Khlood A A Abdeljawaad, Alaa H M Abdelrahman

|Jan 21, 2023
Chetomin, a SARS-CoV-2 3C-like Protease (3CLpro) Inhibitor: In Silico Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis.

Mahmoud A A Ibrahim, Alaa H M Abdelrahman, Dina E M Mohamed

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Frequent Collaborators

9 joint publications

Mahmoud A A Ibrahim

7 joint publications

Paul W Paré

6 joint publications

Alaa H M Abdelrahman

5 joint publications

Mohamed-Elamir F Hegazy