CV | Ahmad Mahmoud Shawky Abdelshafi Esmail

Qualifications

الدكتوراه

2008

الكيمياء العضوية

جامعة المنيا | جمهورية مصر

الماجستير

2004

الكيمياء

جامعه المنيا | جمهورية مصر

البكالوريوس

1999

الكيمياء

جامعة المنيا | جمهورية مصر

Scientific Research

Corrigendum to “Facile fabrication of CuO/Ag2Se nanosized composite via hydrothermal approach for the electrochemical energy conversion system” [Volume 56, Part A, 1 December 2022, 105929]

2024

مقال في مجلة | Elsevier B.V. | Journal of Energy Storage

Covalent small-molecule inhibitors of SARS-CoV-2 Mpro: Insights into their design, classification, biological activity, and binding interactions

2024

مقال في مجلة | Elsevier Masson s.r.l. | European Journal of Medicinal Chemistry

Phytochemical Analysis and Multifaceted Biomedical Activities of Nitraria retusa Extract as Natural Product-Based Therapies

2024

مقال في مجلة | MDPI | Life

Efficient side-chain engineering of thieno-imidazole salt-based molecule to boost the optoelectronic attributes of organic solar cells: A DFT approach

2023

مقال في مجلة | Elsevier | Journal of Molecular Graphics and Modelling

Role of end-capped acceptor moieties on optoelectronic properties of small molecules featuring B–N covalent bond-based organic solar cells

2023

مقال في مجلة | Springer Link | Journal of Computational Electronics

Molecular engineering of bicarbazole-based donor molecules with remarkable photovoltaic parameters for organic solar cells

2023

مقال في مجلة | Elsevier | Optik

A DFT approach for finding therapeutic potential of graphyne as a nanocarrier in the doxorubicin drug delivery to treat cancer

2024

مقال في مجلة | Elsevier | Journal of Molecular Graphics and Modelling

Combination of an Oxindole Derivative with (−)-β-Elemene Alters Cell Death Pathways in FLT3/ITD+ Acute Myeloid Leukemia Cells

2023

مقال في مجلة | MDPI | Molecules

On the efficiency of barbituric acid and its thio derivatives as aluminium corrosion inhibitors: A computational study

2023

مقال في مجلة | Elsevier | Journal of Molecular Liquids

Exploration of charge transfer analysis and photovoltaics properties of A-D-A type non-fullerene phenazine based molecules to enhance the organic solar cell properties

2023

مقال في مجلة | Elsevier | Journal of Molecular Graphics and Modelling

Discovery and optimization of 2,3-diaryl-1,3-thiazolidin-4-one-based derivatives as potent and selective cytotoxic agents with anti-inflammatory activity

2023

مقال في مجلة | Elsevier | European Journal of Medicinal Chemistry

Quantum Chemical Approach of Hexaammine (NH3)6 complexant with alkali and alkaline earth metals for their potential use as NLO materials

2024

مقال في مجلة | Elsevier | Journal of Molecular Graphics and Modelling

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

2023

مقال في مجلة | taylor and francic | Journal of Taibah University for Science

Study on the SEIQR model and applying the epidemiological rates of COVID-19 epidemic spread in Saudi Arabia

2020

مقال في مجلة | KeAi | Infectious Disease Modelling

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

2022

مقال في مجلة | American Chemical Society | ACS Omega

A proposed modified SEIQR epidemic model to analyze the COVID-19 spreading in Saudi Arabia

2022

مقال في مجلة | Elsevier | Alexandria Engineering Journal

Discovery of Azaindolin-2-One as a Dual Inhibitor of GSK3? and Tau Aggregation with Potential Neuroprotective Activity

2022

مقال في مجلة | MDPI | Pharmaceuticals

Discovery of new pyrimidopyrrolizine/indolizine-based derivatives as P-glycoprotein inhibitors: Design, synthesis, cytotoxicity, and MDR reversal activities

2021

مقال في مجلة | Elsevier | European Journal of Medicinal Chemistry

Highly Functionalized Modified Metal Oxides Polymeric Sensors for Potentiometric Determination of Letrozole in Commercial Oral Tablets and Biosamples

2021

مقال في مجلة | MDPI | Polymers

Microwave-Assisted Synthesis, Biological Activity Evaluation, Molecular Docking, and ADMET Studies of Some Novel Pyrrolo [2,3-b] Pyrrole Derivatives

2022

مقال في مجلة | MDPI | Molecules

Signal amplification strategy of label-free ultrasenstive electrochemical immunosensor based ternary Ag/TiO2/rGO nanocomposites for detecting breast cancer biomarker CA 15-3

2021

مقال في مجلة | Elsevier | Materials Chemistry and Physics

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CV

Qualifications

الدكتوراه

الماجستير

البكالوريوس

Scientific Research

Corrigendum to “Facile fabrication of CuO/Ag2Se nanosized composite via hydrothermal approach for the electrochemical energy conversion system” [Volume 56, Part A, 1 December 2022, 105929]

Covalent small-molecule inhibitors of SARS-CoV-2 Mpro: Insights into their design, classification, biological activity, and binding interactions

Phytochemical Analysis and Multifaceted Biomedical Activities of Nitraria retusa Extract as Natural Product-Based Therapies

Efficient side-chain engineering of thieno-imidazole salt-based molecule to boost the optoelectronic attributes of organic solar cells: A DFT approach

Role of end-capped acceptor moieties on optoelectronic properties of small molecules featuring B–N covalent bond-based organic solar cells

Molecular engineering of bicarbazole-based donor molecules with remarkable photovoltaic parameters for organic solar cells

A DFT approach for finding therapeutic potential of graphyne as a nanocarrier in the doxorubicin drug delivery to treat cancer

Combination of an Oxindole Derivative with (−)-β-Elemene Alters Cell Death Pathways in FLT3/ITD+ Acute Myeloid Leukemia Cells

On the efficiency of barbituric acid and its thio derivatives as aluminium corrosion inhibitors: A computational study

Exploration of charge transfer analysis and photovoltaics properties of A-D-A type non-fullerene phenazine based molecules to enhance the organic solar cell properties

Discovery and optimization of 2,3-diaryl-1,3-thiazolidin-4-one-based derivatives as potent and selective cytotoxic agents with anti-inflammatory activity

Quantum Chemical Approach of Hexaammine (NH3)6 complexant with alkali and alkaline earth metals for their potential use as NLO materials

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

Study on the SEIQR model and applying the epidemiological rates of COVID-19 epidemic spread in Saudi Arabia

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

A proposed modified SEIQR epidemic model to analyze the COVID-19 spreading in Saudi Arabia

Discovery of Azaindolin-2-One as a Dual Inhibitor of GSK3? and Tau Aggregation with Potential Neuroprotective Activity

Discovery of new pyrimidopyrrolizine/indolizine-based derivatives as P-glycoprotein inhibitors: Design, synthesis, cytotoxicity, and MDR reversal activities

Highly Functionalized Modified Metal Oxides Polymeric Sensors for Potentiometric Determination of Letrozole in Commercial Oral Tablets and Biosamples

Microwave-Assisted Synthesis, Biological Activity Evaluation, Molecular Docking, and ADMET Studies of Some Novel Pyrrolo [2,3-b] Pyrrole Derivatives

Signal amplification strategy of label-free ultrasenstive electrochemical immunosensor based ternary Ag/TiO2/rGO nanocomposites for detecting breast cancer biomarker CA 15-3

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