Search Results - "Mekhemer GAH"

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

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 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

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

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

Exploring marine natural products for identifying putative candidates as EBNA1 inhibitors: An insight from molecular docking, molecular dynamics, and DFT computations.

Authors: Ibrahim MAA Hassan AMA Mekhemer GAH et al.

Source: Biochemical and biophysical research communications [Biochem Biophys Res Commun] 2024 Nov 26; Vol. 735, pp. 150856. Date of Electronic Publication: 2024 Oct 19.

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

SIRT2 as a Potential Biomarker in Lung Adenocarcinoma: Implications for Immune Infiltration.

Authors: Zhang, Guining Lu, Shuyu Ren, Zhiling et al.

Source: Molecular Biotechnology. Jun2025, Vol. 67 Issue 6, p2305-2318. 14p.

Insights into impact of polar protic and aprotic solvents on bioactive features of 3-(Dimethylaminomethyl)-5-nitroindole: A DFT study and molecular dynamics simulations.

Authors: Koyambo-Konzapa, Stève-Jonathan Vamhindi, Berthelot S. D. Ramlina Khudaykulov, Bekzod et al.

Source: PLoS ONE. 9/10/2025, Vol. 20 Issue 9, p1-26. 26p.

Adsorption of Favipiravir on pristine graphene nanosheets as a drug delivery system: a DFT study.

Authors: Ibrahim MAA Hamad MHA Mahmoud AHM et al.

Source: RSC advances [RSC Adv] 2023 Jun 09; Vol. 13 (26), pp. 17465-17475. Date of Electronic Publication: 2023 Jun 09 (Print Publication: 2023).

Publication Type: Journal Article

Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 101581657 Publication Model: eCollection Cited Medium: Internet ISSN: 2046-2069 (Electronic) Linking ISSN: 20462069 NLM ISO Abbreviation: RSC Adv Subsets: PubMed not MEDLINE

Precision repurposing of clinically characterized molecules targeting dengue virus RNA-dependent RNA polymerase: an in silico identification and in vitro validation.

Authors: Panday H Bohra B Shukla R et al.

Source: Folia microbiologica [Folia Microbiol (Praha)] 2026 Jul 16. Date of Electronic Publication: 2026 Jul 16.

Publication Type: Journal Article

Journal Info: Publisher: Springer Country of Publication: United States NLM ID: 0376757 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1874-9356 (Electronic) Linking ISSN: 00155632 NLM ISO Abbreviation: Folia Microbiol (Praha) Subsets: MEDLINE

Identification of potential inhibitors of dengue virus ns5 methyltransferase and polymerase domains through virtual screening and molecular dynamics studies.

Authors: Haider N Zare A Zhou Y et al.

Source: Journal of molecular modeling [J Mol Model] 2026 Jul 08; Vol. 32 (8). Date of Electronic Publication: 2026 Jul 08.

Publication Type: Journal Article

Journal Info: Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: MEDLINE

Computationally accelerated identification of P-glycoprotein inhibitors.

Authors: McCormick, Lauren A. McCormick, James W. Park, Chanyang et al.

Source: PLoS ONE. 8/13/2025, Vol. 20 Issue 8, p1-24. 24p.

Removal of Pharmaceuticals from an Aqueous Matrix by Adsorption on Metal–Organic Framework MIL-100(Cr).

Authors: Matus, C. Baeza, P. Serrano-Lotina, A. et al.

Source: Water, Air & Soil Pollution. Nov2023, Vol. 234 Issue 11, p1-14. 14p.

Anti-arthritic potential of linalool: in vitro, in vivo, and in silico mechanistic insights for safer therapeutic applications.

Authors: Ahammed S Chowdhury R Al Hasan MS et al.

Source: Naunyn-Schmiedeberg's archives of pharmacology [Naunyn Schmiedebergs Arch Pharmacol] 2025 Aug; Vol. 398 (8), pp. 10921-10937. Date of Electronic Publication: 2025 Mar 07.

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

Journal Info: Publisher: Springer Verlag Country of Publication: Germany NLM ID: 0326264 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1432-1912 (Electronic) Linking ISSN: 00281298 NLM ISO Abbreviation: Naunyn Schmiedebergs Arch Pharmacol Subsets: MEDLINE

σ-Hole and LP-Hole Interactions of Pnicogen···Pnicogen Homodimers under the External Electric Field Effect: A Quantum Mechanical Study.

Authors: Ibrahim MAA Moussa NAM Saad SMA et al.

Source: ACS omega [ACS Omega] 2022 Mar 22; Vol. 7 (13), pp. 11264-11275. Date of Electronic Publication: 2022 Mar 22 (Print Publication: 2022).

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101691658 Publication Model: eCollection Cited Medium: Internet ISSN: 2470-1343 (Electronic) Linking ISSN: 24701343 NLM ISO Abbreviation: ACS Omega Subsets: PubMed not MEDLINE

Modulatory effects of phytol on the antiemetic property of domperidone, possibly through the D2 receptor interaction pathway: in vivo and in silico studies.

Authors: Bhuia, Md. Shimul Islam, Tawhida Rokonuzzman, Md. et al.

Source: 3 Biotech. 3/11/2023, Vol. 13 Issue 4, p1-12. 12p.