Works matching AU Mekhemer, Gamal A. H.

Results: 25

Adsorption Features of Toxic Pnictogen Hydrides over Pristine and C/Be‐Doped Borophene Nanosheets as Potential Sensors: A DFT Investigation.

Published in:

ChemistrySelect, 2025, v. 10, n. 24, p. 1, doi. 10.1002/slct.202500467

By:

Ibrahim, Mahmoud A. A.;
Mahmoud, Amna H. M.;
Mekhemer, Gamal A. H.;
El‐Tayeb, Mohamed A.;
Khan, Shahzeb;
Shoeib, Tamer

Publication type:

Article

Exploring the Adsorption Features of Furan and 1,n‐Dioxane as Environmental Toxins on Two‐Dimensional RuC Nanosheet: A DFT Study.

Published in:

ChemistryOpen, 2025, v. 14, n. 6, p. 1, doi. 10.1002/open.202400415

By:

Mahmoud, Amna H. M.;
Aziz, Muhrail E. S.;
Rabee, Abdallah I. M.;
El‐Tayeb, Mohamed A.;
Mekhemer, Gamal A. H.;
Shoeib, Tamer;
Ibrahim, Mahmoud A. A.

Publication type:

Article

In Silico Targeting Human Multidrug Transporter ABCG2 in Breast Cancer: Database Screening, Molecular Docking, and Molecular Dynamics Study.

Published in:

Molecular Informatics, 2022, v. 41, n. 2, p. 1, doi. 10.1002/minf.202060039

By:

Ibrahim, Mahmoud A. A.;
Badr, Esraa A. A.;
Abdelrahman, Alaa H. M.;
Almansour, Nahlah Makki;
Mekhemer, Gamal A. H.;
Shawky, Ahmed M.;
Moustafa, Mahmoud F.;
Atia, Mohamed A. M.

Publication type:

Article

Acidity-Reactivity Relationships in Catalytic Esterification over Ammonium Sulfate-Derived Sulfated Zirconia.

Published in:

Catalysts (2073-4344), 2017, v. 7, n. 7, p. 204, doi. 10.3390/catal7070204

By:

Rabee, Abdallah I. M.;
Mekhemer, Gamal A. H.;
Osatiashtiani, Amin;
Isaacs, Mark A.;
Lee, Adam F.;
Zaki, Mohamed I.

Publication type:

Article

Lattice-charge imbalance and redox catalysis over perovskite-type ferrite- and manganite-based mixed oxides as studied by XRD, FTIR, UV–Vis DRS, and XPS.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-34065-3

By:

Mekhemer, Gamal A. H.;
Mohamed, Hagar A. A.;
Bumajdad, Ali;
Zaki, Mohamed I.

Publication type:

Article

Pristine and Alkaline Earth Metal‐Decorated C<sub>24</sub>N<sub>24</sub> Fullerenes as Potential Sensors for Halomethanes: A Comparative DFT Investigation.

Published in:

ChemistrySelect, 2025, v. 10, n. 2, p. 1, doi. 10.1002/slct.202405060

By:

Ibrahim, Mahmoud A. A.;
Moussa, Nayra A. M.;
Rady, Al‐shimaa S. M.;
Mekhemer, Gamal A. H.;
El‐Tayeb, Mohamed A.;
Khan, Shahzeb;
Soliman, Mahmoud E. S.

Publication type:

Article

Adsorption Behavior of Toxic Carbon Dichalcogenides (CX 2 ; X = O, S, or Se) on β 12 Borophene and Pristine Graphene Sheets: A DFT Study.

Published in:

Nanomaterials (2079-4991), 2022, v. 12, n. 19, p. 3411, doi. 10.3390/nano12193411

By:

Ibrahim, Mahmoud A. A.;
Mahmoud, Amna H. M.;
Mekhemer, Gamal A. H.;
Shawky, Ahmed M.;
Soliman, Mahmoud E. S.;
Moussa, Nayra A. M.

Publication type:

Article

Borophene and Pristine Graphene 2D Sheets as Potential Surfaces for the Adsorption of Electron-Rich and Electron-Deficient π-Systems: A Comparative DFT Study.

Published in:

Nanomaterials (2079-4991), 2022, v. 12, n. 6, p. 1028, doi. 10.3390/nano12061028

By:

Ibrahim, Mahmoud A. A.;
Mahmoud, Amna H. M.;
Soliman, Kamal A.;
Mekhemer, Gamal A. H.;
Ahmed, Muhammad Naeem;
Shawky, Ahmed M.;
Abourehab, Mohammed A. S.;
Elkaeed, Eslam B.;
Soliman, Mahmoud E. S.;
Moussa, Nayra A. M.

Publication type:

Article

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

Published in:

PLoS ONE, 2024, v. 19, n. 11, p. 1, doi. 10.1371/journal.pone.0314422

By:

Ibrahim, Mahmoud A. A.;
Mahmoud, Doaa G. M.;
Abdelrahman, Alaa H. M.;
Abdeljawaad, Khlood A. A.;
Mekhemer, Gamal A. H.;
Shoeib, Tamer;
El-Tayeb, Mohamed A.;
Sidhom, Peter A.;
Paré, Paul W.;
Hegazy, Mohamed-Elamir F.

Publication type:

Article

Repurposing of drug candidates against Epstein–Barr virus: Virtual screening, docking computations, molecular dynamics, and quantum mechanical study.

Published in:

PLoS ONE, 2024, v. 19, n. 11, p. 1, doi. 10.1371/journal.pone.0312100

By:

Ibrahim, Mahmoud A. A.;
Hassan, Alaa M. A.;
Mohamed, Eslam A. R.;
Mekhemer, Gamal A. H.;
Sidhom, Peter A.;
El-Tayeb, Mohamed A.;
Khan, Shahzeb;
Shoeib, Tamer;
Soliman, Mahmoud E. S.;
Abdelrahman, Alaa H. M.

Publication type:

Article

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

Published in:

Molecules, 2023, v. 28, n. 15, p. 5713, doi. 10.3390/molecules28155713

By:

Ibrahim, Mahmoud A. A.;
Abdelhamid, Mahmoud M. H.;
Abdeljawaad, Khlood A. A.;
Abdelrahman, Alaa H. M.;
Mekhemer, Gamal A. H.;
Sidhom, Peter A.;
Sayed, Shaban R. M.;
Paré, Paul W.;
Hegazy, Mohamed-Elamir F.;
Shoeib, Tamer

Publication type:

Article

Adsorption Features of Tetrahalomethanes (CX 4 ; X = F, Cl, and Br) on β 12 Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study.

Published in:

Molecules, 2023, v. 28, n. 14, p. 5476, doi. 10.3390/molecules28145476

By:

Ibrahim, Mahmoud A. A.;
Mahmoud, Amna H. M.;
Moussa, Nayra A. M.;
Mekhemer, Gamal A. H.;
Sayed, Shaban R. M.;
Ahmed, Muhammad Naeem;
Abd El-Rahman, Mohamed K.;
Dabbish, Eslam;
Shoeib, Tamer

Publication type:

Article

Exploring Natural Product Activity and Species Source Candidates for Hunting ABCB1 Transporter Inhibitors: An In Silico Drug Discovery Study.

Published in:

Molecules, 2022, v. 27, n. 10, p. 3104, doi. 10.3390/molecules27103104

By:

Ibrahim, Mahmoud A. A.;
Abdeljawaad, Khlood A. A.;
Abdelrahman, Alaa H. M.;
Jaragh-Alhadad, Laila A.;
Oraby, Hesham Farouk;
Elkaeed, Eslam B.;
Mekhemer, Gamal A. H.;
Gabr, Gamal A.;
Shawky, Ahmed M.;
Sidhom, Peter A.;
Soliman, Mahmoud E. S.;
Moustafa, Mahmoud F.;
Paré, Paul W.;
Hegazy, Mohamed-Elamir F.

Publication type:

Article

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

Published in:

PLoS ONE, 2023, v. 18, n. 7, p. 1, doi. 10.1371/journal.pone.0288919

By:

Ibrahim, Mahmoud A. A.;
Abdeljawaad, Khlood A. A.;
Abdelrahman, Alaa H. M.;
Abdelhamid, Mahmoud M. H.;
Naeem, Mohamed Ahmed;
Mekhemer, Gamal A. H.;
Sidhom, Peter A.;
Sayed, Shaban R. M.;
Paré, Paul W.;
Hegazy, Mohamed-Elamir F.

Publication type:

Article

Prospective Drug Candidates as Human Multidrug Transporter ABCG2 Inhibitors: an In Silico Drug Discovery Study.

Published in:

Cell Biochemistry & Biophysics, 2021, v. 79, n. 2, p. 189, doi. 10.1007/s12013-021-00985-y

By:

Ibrahim, Mahmoud A. A.;
Badr, Esraa A. A.;
Abdelrahman, Alaa H. M.;
Almansour, Nahlah Makki;
Shawky, Ahmed M.;
Mekhemer, Gamal A. H.;
Alrumaihi, Faris;
Moustafa, Mahmoud F.;
Atia, Mohamed A. M.

Publication type:

Article

In-silico natural product database mining for novel neuropilin-1 inhibitors: molecular docking, molecular dynamics and binding energy computations.

Published in:

Journal of Taibah University for Science, 2023, v. 17, n. 1, p. 1, doi. 10.1080/16583655.2023.2182623

By:

Ibrahim, Mahmoud A. A.;
Ali, Sara S. M.;
Abdeljawaad, Khlood A. A.;
Abdelrahman, Alaa H. M.;
Gabr, Gamal A.;
Shawky, Ahmed M.;
Mekhemer, Gamal A. H.;
Sidhom, Peter A.;
Paré, Paul W.;
Hegazy, Mohamed-Elamir F.

Publication type:

Article

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.

Published in:

Pharmaceuticals (14248247), 2023, v. 16, n. 7, p. 1019, doi. 10.3390/ph16071019

By:

Ibrahim, Mahmoud A. A.;
Abdeljawaad, Khlood A. A.;
Abdelrahman, Alaa H. M.;
Sidhom, Peter A.;
Tawfeek, Ahmed M.;
Mekhemer, Gamal A. H.;
Abd El-Rahman, Mohamed K.;
Dabbish, Eslam;
Shoeib, Tamer

Publication type:

Article

Nitrogen Sorptiometric Study of Phosphation and Dispersion of Lanthanum(III) Oxide on Alumina Catalysts.

Published in:

Adsorption Science & Technology, 2011, v. 29, n. 10, p. 927, doi. 10.1260/0263-6174.29.10.927

By:

Mekhemer, Gamal A. H.;
Bukhzam, Ali F.;
El-Towaty, Amal S.;
Zaki, Mohamed I.

Publication type:

Article

In silico drug discovery of SIRT2 inhibitors from natural source as anticancer agents.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-28226-7

By:

Ibrahim, Mahmoud A. A.;
Abdeljawaad, Khlood A. A.;
Roshdy, Eslam;
Mohamed, Dina E. M.;
Ali, Taha F. S.;
Gabr, Gamal A.;
Jaragh-Alhadad, Laila A.;
Mekhemer, Gamal A. H.;
Shawky, Ahmed M.;
Sidhom, Peter A.;
Abdelrahman, Alaa H. M.

Publication type:

Article

In silico drug discovery of SIRT2 inhibitors from natural source as anticancer agents.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-28226-7

By:

Ibrahim, Mahmoud A. A.;
Abdeljawaad, Khlood A. A.;
Roshdy, Eslam;
Mohamed, Dina E. M.;
Ali, Taha F. S.;
Gabr, Gamal A.;
Jaragh-Alhadad, Laila A.;
Mekhemer, Gamal A. H.;
Shawky, Ahmed M.;
Sidhom, Peter A.;
Abdelrahman, Alaa H. M.

Publication type:

Article

On the Use of Graphene Nanosheets for Drug Delivery: A Case Study of Cisplatin and Some of Its Analogs.

Published in:

Pharmaceutics, 2023, v. 15, n. 6, p. 1640, doi. 10.3390/pharmaceutics15061640

By:

Ibrahim, Mahmoud A. A.;
Hamad, Manar H. A.;
Mahmoud, Amna H. M.;
Mekhemer, Gamal A. H.;
Sayed, Shaban R. M.;
El-Rahman, Mohamed K. Abd;
Sidhom, Peter A.;
Dabbish, Eslam;
Shoeib, Tamer

Publication type:

Article

Naturally occurring plant-based anticancerous candidates as prospective ABCG2 inhibitors: an in silico drug discovery study.

Published in:

Molecular Diversity, 2022, v. 26, n. 6, p. 3255, doi. 10.1007/s11030-022-10389-6

By:

Ibrahim, Mahmoud A. A.;
Abdelrahman, Alaa H. M.;
Badr, Esraa A. A.;
Almansour, Nahlah Makki;
Alzahrani, Othman R.;
Ahmed, Muhammad Naeem;
Soliman, Mahmoud E. S.;
Naeem, Mohamed Ahmed;
Shawky, Ahmed M.;
Sidhom, Peter A.;
Mekhemer, Gamal A. H.;
Atia, Mohamed A. M.

Publication type:

Article

Role and nature of halogen bonding in inhibitor⋅⋅⋅receptor complexes for drug discovery: casein kinase-2 (CK2) inhibition as a case study.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 3, p. 1, doi. 10.1007/s00214-018-2207-2

By:

Ibrahim, Mahmoud A. A.;
Hasb, Abeer A. M.;
Mekhemer, Gamal A. H.

Publication type:

Article

Natural Products from Brazilian Biodiversity Explored as Anti-EBV Drug Candidates: In-Silico Database Mining, Docking Computations, Molecular Dynamics and DFT Calculations.

Published in:

Journal of Computational Biophysics & Chemistry, 2024, v. 23, n. 9, p. 1129, doi. 10.1142/S2737416524500327

By:

Hassan, Alaa M. A.;
Sidhom, Peter A.;
Mekhemer, Gamal A. H.;
El-Tayeb, Mohamed A.;
Hegazy, Mohamed-Elamir F.;
Ibrahim, Mahmoud A. A.

Publication type:

Article

Potential drug candidates as P-glycoprotein inhibitors to reverse multidrug resistance in cancer: an in silico drug discovery study.

Published in:

Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 23, p. 13977, doi. 10.1080/07391102.2023.2176360

By:

Ibrahim, Mahmoud A. A.;
Abdeljawaad, Khlood A. A.;
Jaragh-Alhadad, Laila A.;
Oraby, Hesham Farouk;
Atia, Mohamed A. M.;
Alzahrani, Othman R.;
Mekhemer, Gamal A. H.;
Moustafa, Mahmoud F.;
Shawky, Ahmed M.;
Sidhom, Peter A.;
Abdelrahman, Alaa H. M.

Publication type:

Article