Search Results - "Mekhemer, Gamal A. H"
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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 (08-05-2023)“…In the present investigation, two sets of pure and substituted ferrite- and manganite-based mixed oxides were prepared within the stoichiometric formula A 1 -…”
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In silico drug discovery of SIRT2 inhibitors from natural source as anticancer agents
Published in Scientific reports (07-02-2023)“…Sirtuin 2 (SIRT2) is a member of the sirtuin protein family, which includes lysine deacylases that are NAD + -dependent and organize several biological…”
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On the Use of Graphene Nanosheets for Drug Delivery: A Case Study of Cisplatin and Some of Its Analogs
Published in Pharmaceutics (01-06-2023)“…Graphene (GN) nanosheets have been widely exploited in biomedical applications as potential nanocarriers for various drugs due to their distinct physical and…”
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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 (Basel, Switzerland) (01-07-2023)“…Multidrug resistance (MDR) is one of the most problematic issues in chemotherapeutic carcinoma therapy. The ABCB1 transporter, a drug efflux pump overexpressed…”
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Particle characteristics and reduction behavior of synthetic magnetite
Published in Journal of magnetism and magnetic materials (01-04-2014)“…Two samples (S1 and S2) of magnetite were synthesized, using two different methods, and characterized by means of X-ray powder diffractometry, infrared and…”
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Repurposing of drug candidates against Epstein–Barr virus: Virtual screening, docking computations, molecular dynamics, and quantum mechanical study
Published in PloS one (15-11-2024)“…Epstein–Barr virus (EBV) was the first tumor virus identified in humans, and it is mostly linked to lymphomas and cancers of epithelial cells. Nevertheless,…”
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Adsorption of Favipiravir on pristine graphene nanosheets as a drug delivery system: a DFT study
Published in RSC advances (09-06-2023)“…The efficiency of pristine graphene (GN) in the delivery process of the Favipiravir (FPV) anti-COVID-19 drug was herein revealed within the FPV GN complexes in…”
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Exploring Natural Product Activity and Species Source Candidates for Hunting ABCB1 Transporter Inhibitors: An In Silico Drug Discovery Study
Published in Molecules (Basel, Switzerland) (12-05-2022)“…The P-glycoprotein (P-gp/ABCB1) is responsible for a xenobiotic efflux pump that shackles intracellular drug accumulation. Additionally, it is included in the…”
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External electric field effects on the σ-hole and lone-pair hole interactions of group V elements: a comparative investigation
Published in RSC advances (19-01-2021)“…σ-hole and lone-pair (lp) hole interactions of trivalent pnicogen-bearing (ZF 3 ) compounds were comparatively scrutinized, for the first time, under…”
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SuperNatural inhibitors to reverse multidrug resistance emerged by ABCB1 transporter: Database mining, lipid-mediated molecular dynamics, and pharmacokinetics study
Published in PloS one (26-07-2023)“…An effective approach to reverse multidrug resistance (MDR) is P-glycoprotein (P-gp, ABCB1) transport inhibition. To identify such molecular regulators, the…”
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Adsorption Features of Tetrahalomethanes (CX4; X = F, Cl, and Br) on β12 Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study
Published in Molecules (Basel, Switzerland) (18-07-2023)“…The potentiality of the β12 borophene (β12) and pristine graphene (GN) nanosheets to adsorb tetrahalomethanes (CX4; X = F, Cl, and Br) were investigated using…”
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Naturally occurring plant-based anticancerous candidates as prospective ABCG2 inhibitors: an in silico drug discovery study
Published in Molecular diversity (01-12-2022)“…ATP-binding cassette transporter G2 (ABCG2) is an efflux transporter related to the clinical multidrug resistance (MDR) phenomenon. Identifying ABCG2…”
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Prospective Drug Candidates as Human Multidrug Transporter ABCG2 Inhibitors: an In Silico Drug Discovery Study
Published in Cell biochemistry and biophysics (01-06-2021)“…Breast cancer resistance protein (ABCG2) is a human ATP-binding cassette (ABC) that plays a paramount role in multidrug resistance (MDR) in cancer therapy. The…”
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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 (Basel, Switzerland) (28-07-2023)“…BRD4 (bromodomain-containing protein 4) is an epigenetic reader that realizes histone proteins and promotes the transcription of genes linked to cancer…”
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Influence of phosphonation and phosphation on surface acid–base and morphological properties of CaO as investigated by in situ FTIR spectroscopy and electron microscopy
Published in Journal of colloid and interface science (01-11-2006)“…Pure, phosphated, and phosphonated CaO samples were prepared and characterized by X-ray powder diffractometry, FTIR spectroscopy, scanning electron microscopy,…”
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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 (Basel, Switzerland) (21-03-2022)“…The versatility of striped borophene (sB), borophene ( ), and pristine graphene (GN) to adsorb π-systems was comparatively assessed using benzene (BNZ) and…”
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Adsorption Behavior of Toxic Carbon Dichalcogenides (CX2; X = O, S, or Se) on β12 Borophene and Pristine Graphene Sheets: A DFT Study
Published in Nanomaterials (Basel, Switzerland) (29-09-2022)“…The adsorption of toxic carbon dichalcogenides (CX2; X = O, S, or Se) on β12 borophene (β12) and pristine graphene (GN) sheets was comparatively investigated…”
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σ‑Hole and LP-Hole Interactions of Pnicogen···Pnicogen Homodimers under the External Electric Field Effect: A Quantum Mechanical Study
Published in ACS omega (05-04-2022)“…σ-Hole and lone-pair (lp)-hole interactions within σ-hole···σ-hole, σ-hole···lp-hole, and lp-hole···lp-hole configurations were comparatively investigated on…”
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Chemical and Morphological Consequences of Acidification of Pure, Phosphated, and Phosphonated CaO: Influence of CO2 Adsorption
Published in Langmuir (01-07-2008)“…In situ Fourier transform infrared (FTIR) spectroscopy was employed to characterize the adsorption behavior (as a function of pressure or time) and surface…”
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Exploring marine natural products for identifying putative candidates as EBNA1 inhibitors: An insight from molecular docking, molecular dynamics, and DFT computations
Published in Biochemical and biophysical research communications (26-11-2024)“…Epstein-Barr virus (EBV), namely a DNA neoplasm virus, is liable for over 1 % of malignant neoplasms involving Hodgkin's and Burkitt's lymphoma as well as…”
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