Search Results - "Mekhemer GAH"

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

Authors: Abdeljawaad KAA Arynbek Y Mamatkulov K et al.

Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2026 Jul; Vol. 44 (11), pp. 5189-5204. Date of Electronic Publication: 2025 Oct 14.

Publication Type: Journal Article

Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE

Exploration of African natural products as VP35 inhibitors to combat Marburg virus infection: Molecular docking, molecular dynamics, and quantum mechanical computations.

Authors: Abdelrahman AHM Mekhemer GAH Sidhom PA et al.

Source: PloS one [PLoS One] 2025 Oct 24; Vol. 20 (10), pp. e0334160. Date of Electronic Publication: 2025 Oct 24 (Print Publication: 2025).

Publication Type: Journal Article

Journal Info: Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE

Exploring the Natural Products Atlas (NPAtlas) Database for Hunting Prospective Irreversible Covalent DprE1 Inhibitors With Antitubercular Activity: An Integrated In-Silico Approach.

Authors: Ibrahim MAA Mahmoud DGM Ebada SS et al.

Source: Journal of tropical medicine [J Trop Med] 2026 Feb 14; Vol. 2026, pp. 8879019. Date of Electronic Publication: 2026 Feb 14 (Print Publication: 2026).

Publication Type: Journal Article

Journal Info: Publisher: Wiley Country of Publication: United States NLM ID: 101524194 Publication Model: eCollection Cited Medium: Print ISSN: 1687-9686 (Print) Linking ISSN: 16879686 NLM ISO Abbreviation: J Trop Med Subsets: PubMed not MEDLINE

Drug Repurposing Investigation for Combating Ebola Virus Disease: Database Mining, Docking Calculations, Molecular Dynamics, and Density Functional Theory Study.

Authors: Abdelrahman AHM Mekhemer GAH Sidhom PA et al.

Source: ChemistryOpen [ChemistryOpen] 2025 Dec; Vol. 14 (12), pp. e202500348. Date of Electronic Publication: 2025 Sep 02.

Publication Type: Journal Article

Journal Info: Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 101594811 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2191-1363 (Electronic) Linking ISSN: 21911363 NLM ISO Abbreviation: ChemistryOpen Subsets: MEDLINE

Harnessing SuperNatural database to identify VP35 inhibitors as anti-Ebola drug candidates: A multistage In silico study.

Authors: Hasb AAM Mekhemer GAH Sidhom PA et al.

Source: Antiviral therapy [Antivir Ther] 2025 Dec; Vol. 30 (6), pp. 13596535251405027. Date of Electronic Publication: 2025 Dec 23.

Publication Type: Journal Article

Journal Info: Publisher: SAGE Publications Country of Publication: England NLM ID: 9815705 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2040-2058 (Electronic) Linking ISSN: 13596535 NLM ISO Abbreviation: Antivir Ther Subsets: MEDLINE

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

Authors: Ibrahim MAA Mahmoud DGM Abdelrahman AHM et al.

Source: PloS one [PLoS One] 2024 Nov 25; Vol. 19 (11), pp. e0314422. Date of Electronic Publication: 2024 Nov 25 (Print Publication: 2024).

Publication Type: Journal Article

Journal Info: Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE

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

Authors: Ibrahim MAA Hassan AMA Mohamed EAR et al.

Source: PloS one [PLoS One] 2024 Nov 15; Vol. 19 (11), pp. e0312100. Date of Electronic Publication: 2024 Nov 15 (Print Publication: 2024).

Publication Type: Journal Article

Journal Info: Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE

In-Silico Exploration of the StreptomeDB Database for Potential Irreversible DprE1 Inhibitors toward Antitubercular Treatment.

Authors: Mahmoud DGM Mekhemer GAH Hegazy MF et al.

Source: ChemistryOpen [ChemistryOpen] 2025 Nov; Vol. 14 (11), pp. e202500237. Date of Electronic Publication: 2025 Jul 14.

Publication Type: Journal Article

Journal Info: Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 101594811 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2191-1363 (Electronic) Linking ISSN: 21911363 NLM ISO Abbreviation: ChemistryOpen Subsets: MEDLINE

In Silico Mining of the Streptome Database for Hunting Putative Candidates to Allosterically Inhibit the Dengue Virus (Serotype 2) RdRp.

Authors: Abdelrahman AHM Mekhemer GAH Sidhom PA et al.

Source: Pharmaceuticals (Basel, Switzerland) [Pharmaceuticals (Basel)] 2025 Jul 30; Vol. 18 (8). Date of Electronic Publication: 2025 Jul 30.

Publication Type: Journal Article

Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 101238453 Publication Model: Electronic Cited Medium: Print ISSN: 1424-8247 (Print) Linking ISSN: 14248247 NLM ISO Abbreviation: Pharmaceuticals (Basel) Subsets: PubMed not MEDLINE

In Silico Mining of NPACT Database Toward Identification of EBNA1 Inhibitor: Virtual Screening, Molecular Dynamics Simulations, and DFT Calculations.

Authors: Ibrahim MAA Hassan AMA Abdelrahman AHM et al.

Source: Journal of tropical medicine [J Trop Med] 2025 Jul 01; Vol. 2025, pp. 1786204. Date of Electronic Publication: 2025 Jul 01 (Print Publication: 2025).

Publication Type: Journal Article

Journal Info: Publisher: Wiley Country of Publication: United States NLM ID: 101524194 Publication Model: eCollection Cited Medium: Print ISSN: 1687-9686 (Print) Linking ISSN: 16879686 NLM ISO Abbreviation: J Trop Med Subsets: PubMed not MEDLINE

Potential P-glycoprotein (P-gp) inhibitors from SuperDRUG2 database toward reversing multidrug resistance in cancer treatment: Database mining, molecular dynamics, and binding energy estimations.

Authors: Abdeljawaad KAA Abdelrahman AHM Sidhom PA et al.

Source: Journal of molecular graphics & modelling [J Mol Graph Model] 2025 Jun; Vol. 137, pp. 108997. Date of Electronic Publication: 2025 Feb 26.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Science, Inc Country of Publication: United States NLM ID: 9716237 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-4243 (Electronic) Linking ISSN: 10933263 NLM ISO Abbreviation: J Mol Graph Model Subsets: MEDLINE

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

Authors: Mahmoud AHM Aziz MES Rabee AIM et al.

Source: ChemistryOpen [ChemistryOpen] 2025 Jun; Vol. 14 (6), pp. e202400415. Date of Electronic Publication: 2025 Jan 29.

Publication Type: Journal Article

Journal Info: Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 101594811 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2191-1363 (Electronic) Linking ISSN: 21911363 NLM ISO Abbreviation: ChemistryOpen Subsets: MEDLINE; PubMed not MEDLINE

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

Authors: Ibrahim MAA Abdelhamid MMH Abdeljawaad KAA et al.

Source: Molecules (Basel, Switzerland) [Molecules] 2023 Jul 28; Vol. 28 (15). Date of Electronic Publication: 2023 Jul 28.

Publication Type: Journal Article

Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE

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

Authors: Ibrahim MAA Abdeljawaad KAA Abdelrahman AHM et al.

Source: PloS one [PLoS One] 2023 Jul 26; Vol. 18 (7), pp. e0288919. Date of Electronic Publication: 2023 Jul 26 (Print Publication: 2023).

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE

Adsorption Features of Tetrahalomethanes (CX4; X = F, Cl, and Br) on β12 Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study.

Authors: Ibrahim MAA Mahmoud AHM Moussa NAM et al.

Source: Molecules (Basel, Switzerland) [Molecules] 2023 Jul 18; Vol. 28 (14). Date of Electronic Publication: 2023 Jul 18.

Publication Type: Journal Article

Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE; PubMed not MEDLINE

Hunting potential SIRT2 inhibitors towards cancer treatment: Drug repurposing, molecular dynamics, and binding energy computations.

Authors: Ibrahim MAA Abdeljawaad KAA Abdelrahman AHM et al.

Source: Biochemical and biophysical research communications [Biochem Biophys Res Commun] 2025 May 26; Vol. 760, pp. 151701. Date of Electronic Publication: 2025 Mar 25.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Elsevier Country of Publication: United States NLM ID: 0372516 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1090-2104 (Electronic) Linking ISSN: 0006291X NLM ISO Abbreviation: Biochem Biophys Res Commun Subsets: MEDLINE

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

Authors: Ibrahim MAA Abdeljawaad KAA Jaragh-Alhadad LA et al.

Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023; Vol. 41 (23), pp. 13977-13992. Date of Electronic Publication: 2023 Mar 08.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE

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

Authors: Ibrahim MAA Abdelrahman AHM Badr EAA et al.

Source: Molecular diversity [Mol Divers] 2022 Dec; Vol. 26 (6), pp. 3255-3277. Date of Electronic Publication: 2022 Feb 28.

Publication Type: Journal Article

Journal Info: Publisher: ESCOM Science Publishers Country of Publication: Netherlands NLM ID: 9516534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-501X (Electronic) Linking ISSN: 13811991 NLM ISO Abbreviation: Mol Divers Subsets: MEDLINE

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

Authors: Ibrahim MAA Abdeljawaad KAA Abdelrahman AHM et al.

Source: Molecules (Basel, Switzerland) [Molecules] 2022 May 12; Vol. 27 (10). Date of Electronic Publication: 2022 May 12.

Publication Type: Journal Article

Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE

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

Authors: Ibrahim MAA Badr EAA Abdelrahman AHM et al.

Source: Molecular informatics [Mol Inform] 2022 Feb; Vol. 41 (2), pp. e2060039. Date of Electronic Publication: 2021 Sep 07.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 101529315 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1868-1751 (Electronic) Linking ISSN: 18681743 NLM ISO Abbreviation: Mol Inform Subsets: MEDLINE