Ahmed Mahmoud Shawky (Ahmed M Shawky)

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 44

Top Topics

Molecular Docking

Top Venues

Pharmaceuticals (Basel, Switzerland)

Molecules (Basel, Switzerland)

This page only lists publications with an associated author ORCID identifier.

Publications

Amna Zahoor, N M A Hadia, Sahar Javaid Akram, Rana Farhat Mehmood, Sonia Sadiq, Ahmed Mahmoud Shawky, Naifa S Alatawi, Asma Ahmed, Javed Iqbal, Rasheed Ahmad Khera
Alteration of the central core of a DF-PCIC chromophore to boost the photovoltaic applications of non-fullerene acceptor based organic solar cells. RSC advances 13 (10) (2023)
Jowaher Alanazi, Onur Bender, Rumeysa Dogan, Jonaid Ahmad Malik, Arzu Atalay, Taha Farouk Shehata Ali, Eman A M Beshr, Ahmed Mahmoud Shawky, Omar M Aly, Yasir Nasser H Alqahtani, Sirajudheen Anwar
Combination of an Oxindole Derivative with (-)-β-Elemene Alters Cell Death Pathways in FLT3/ITD + Acute Myeloid Leukemia Cells. Molecules (Basel, Switzerland) 28 (13) (2023)
Mahmoud A A Ibrahim, Alaa H M Abdelrahman, Dina E M Mohamed, Khlood A A Abdeljawaad, Mohamed Ahmed Naeem, Gamal A Gabr, Ahmed Mahmoud Shawky, Mahmoud E S Soliman, Peter A Sidhom, Paul W Paré, Mohamed-Elamir F Hegazy
Chetomin, a SARS-CoV-2 3C-like Protease (3CL pro ) Inhibitor: In Silico Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis. Viruses 15 (1) (2023)
Mahmoud A A Ibrahim, Alaa H M Abdelrahman, Dina E M Mohamed, Khlood A A Abdeljawaad, Mohamed Ahmed Naeem, Gamal A Gabr, Ahmed Mahmoud Shawky, Mahmoud E S Soliman, Peter A Sidhom, Paul W Paré, Mohamed-Elamir F Hegazy
Chetomin, a SARS-CoV-2 3C-like Protease (3CL pro ) Inhibitor: In Silico Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis. Viruses 15 (1) (2023)
Ehsan Ullah Rashid, N M A Hadia, Ahmed Mahmoud Shawky, Nashra Ijaz, Manel Essid, Javed Iqbal, Naifa S Alatawi, Muhammad Ans, Rasheed Ahmad Khera
Quantum modeling of dimethoxyl-indaceno dithiophene based acceptors for the development of semiconducting acceptors with outstanding photovoltaic potential. RSC advances 13 (7) (2023)
Mahmoud A A Ibrahim, Alaa H M Abdelrahman, Dina E M Mohamed, Khlood A A Abdeljawaad, Mohamed Ahmed Naeem, Gamal A Gabr, Ahmed Mahmoud Shawky, Mahmoud E S Soliman, Peter A Sidhom, Paul W Paré, Mohamed-Elamir F Hegazy
Chetomin, a SARS-CoV-2 3C-like Protease (3CL pro ) Inhibitor: In Silico Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis. Viruses 15 (1) (2023)
Mahmoud A A Ibrahim, Alaa H M Abdelrahman, Dina E M Mohamed, Khlood A A Abdeljawaad, Mohamed Ahmed Naeem, Gamal A Gabr, Ahmed Mahmoud Shawky, Mahmoud E S Soliman, Peter A Sidhom, Paul W Paré, Mohamed-Elamir F Hegazy
Chetomin, a SARS-CoV-2 3C-like Protease (3CL pro ) Inhibitor: In Silico Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis. Viruses 15 (1) (2023)
Mafia Rani, N M A Hadia, Ahmed Mahmoud Shawky, Rana Farhat Mehmood, Shanza Hameed, Saba Zahid, Javed Iqbal, Naifa S Alatawi, Asma Ahmed, Rasheed Ahmad Khera
Novel A-π-D-π-A type non-fullerene acceptors of dithienyl diketopyrropopyrrole derivatives to enhance organic photovoltaic applications: a DFT study. RSC advances 13 (3) (2023)
Muhammad Waqas, N M A Hadia, Ahmed Mahmoud Shawky, Rana Farhat Mahmood, Manel Essid, Zouhaier Aloui, Naifa S Alatawi, Javed Iqbal, Rasheed Ahmad Khera
Theoretical framework for achieving high V oc in non-fused non-fullerene terthiophene-based end-capped modified derivatives for potential applications in organic photovoltaics. RSC advances 13 (11) (2023)
Amna Zahoor, N M A Hadia, Sahar Javaid Akram, Rana Farhat Mehmood, Sonia Sadiq, Ahmed Mahmoud Shawky, Naifa S Alatawi, Asma Ahmed, Javed Iqbal, Rasheed Ahmad Khera
Alteration of the central core of a DF-PCIC chromophore to boost the photovoltaic applications of non-fullerene acceptor based organic solar cells. RSC advances 13 (10) (2023)
Ehsan Ullah Rashid, N M A Hadia, Ahmed Mahmoud Shawky, Nashra Ijaz, Manel Essid, Javed Iqbal, Naifa S Alatawi, Muhammad Ans, Rasheed Ahmad Khera
Quantum modeling of dimethoxyl-indaceno dithiophene based acceptors for the development of semiconducting acceptors with outstanding photovoltaic potential. RSC advances 13 (7) (2023)
Bilal Ahmad Khan, Syeda Shamila Hamdani, Muhammad Khalid, Muhammad Ashfaq, Khurram Shahzad Munawar, Muhammad Nawaz Tahir, Ataualpa Albert Carmo Braga, Ahmed Mahmoud Shawky, Alaa M Alqahtani, Mohammad A S Abourehab, Gamal A Gabr, Mahmoud A A Ibrahim, Peter A Sidhom
Exploring Probenecid Derived 1,3,4-Oxadiazole-Phthalimide Hybrid as α-Amylase Inhibitor: Synthesis, Structural Investigation, and Molecular Modeling. Pharmaceuticals (Basel, Switzerland) 16 (3) (2023)
Mahmoud A A Ibrahim, Alaa H M Abdelrahman, Dina E M Mohamed, Khlood A A Abdeljawaad, Mohamed Ahmed Naeem, Gamal A Gabr, Ahmed Mahmoud Shawky, Mahmoud E S Soliman, Peter A Sidhom, Paul W Paré, Mohamed-Elamir F Hegazy
Chetomin, a SARS-CoV-2 3C-like Protease (3CL pro ) Inhibitor: In Silico Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis. Viruses 15 (1) (2023)
Omnia Hesham Abdelhafez, Islam M Abdel-Rahman, Eman Alaaeldin, Hesham Refaat, Refat El-Sayed, Sami A Al-Harbi, Ahmed Mahmoud Shawky, Mohamed-Elamir F Hegazy, Alaa Y Moustafa, Nourhan Hisham Shady
Pro-Apoptotic Activity of Epi -Obtusane against Cervical Cancer: Nano Formulation, In Silico Molecular Docking, and Pharmacological Network Analysis. Pharmaceuticals (Basel, Switzerland) 16 (11) (2023)
Bilal Ahmad Khan, Syeda Shamila Hamdani, Muhammad Khalid, Muhammad Ashfaq, Khurram Shahzad Munawar, Muhammad Nawaz Tahir, Ataualpa Albert Carmo Braga, Ahmed Mahmoud Shawky, Alaa M Alqahtani, Mohammad A S Abourehab, Gamal A Gabr, Mahmoud A A Ibrahim, Peter A Sidhom
Exploring Probenecid Derived 1,3,4-Oxadiazole-Phthalimide Hybrid as α-Amylase Inhibitor: Synthesis, Structural Investigation, and Molecular Modeling. Pharmaceuticals (Basel, Switzerland) 16 (3) (2023)
Mafia Rani, N M A Hadia, Ahmed Mahmoud Shawky, Rana Farhat Mehmood, Shanza Hameed, Saba Zahid, Javed Iqbal, Naifa S Alatawi, Asma Ahmed, Rasheed Ahmad Khera
Novel A-π-D-π-A type non-fullerene acceptors of dithienyl diketopyrropopyrrole derivatives to enhance organic photovoltaic applications: a DFT study. RSC advances 13 (3) (2023)
Muhammad Waqas, N M A Hadia, Ahmed Mahmoud Shawky, Rana Farhat Mahmood, Manel Essid, Zouhaier Aloui, Naifa S Alatawi, Javed Iqbal, Rasheed Ahmad Khera
Theoretical framework for achieving high V oc in non-fused non-fullerene terthiophene-based end-capped modified derivatives for potential applications in organic photovoltaics. RSC advances 13 (11) (2023)
Bilal Ahmad Khan, Syeda Shamila Hamdani, Muhammad Khalid, Muhammad Ashfaq, Khurram Shahzad Munawar, Muhammad Nawaz Tahir, Ataualpa Albert Carmo Braga, Ahmed Mahmoud Shawky, Alaa M Alqahtani, Mohammad A S Abourehab, Gamal A Gabr, Mahmoud A A Ibrahim, Peter A Sidhom
Exploring Probenecid Derived 1,3,4-Oxadiazole-Phthalimide Hybrid as α-Amylase Inhibitor: Synthesis, Structural Investigation, and Molecular Modeling. Pharmaceuticals (Basel, Switzerland) 16 (3) (2023)
Bilal Ahmad Khan, Syeda Shamila Hamdani, Saquib Jalil, Syeda Abida Ejaz, Jamshed Iqbal, Ahmed Mahmoud Shawky, Alaa M Alqahtani, Gamal A Gabr, Mahmoud A A Ibrahim, Peter A Sidhom
Synthesis and Evaluation of Novel S -alkyl Phthalimide- and S -benzyl-oxadiazole-quinoline Hybrids as Inhibitors of Monoamine Oxidase and Acetylcholinesterase. Pharmaceuticals (Basel, Switzerland) 16 (1) (2022)
Mahmoud A A Ibrahim, Amna H M Mahmoud, Kamal A Soliman, Gamal A H Mekhemer, Muhammad Naeem Ahmed, Ahmed Mahmoud Shawky, Mohammad A S Abourehab, Eslam B Elkaeed, Mahmoud E S Soliman, Nayra A M Moussa
Borophene and Pristine Graphene 2D Sheets as Potential Surfaces for the Adsorption of Electron-Rich and Electron-Deficient π-Systems: A Comparative DFT Study. Nanomaterials (Basel, Switzerland) 12 (6) (2022)
Bilal Ahmad Khan, Syeda Shamila Hamdani, Saquib Jalil, Syeda Abida Ejaz, Jamshed Iqbal, Ahmed Mahmoud Shawky, Alaa M Alqahtani, Gamal A Gabr, Mahmoud A A Ibrahim, Peter A Sidhom
Synthesis and Evaluation of Novel S -alkyl Phthalimide- and S -benzyl-oxadiazole-quinoline Hybrids as Inhibitors of Monoamine Oxidase and Acetylcholinesterase. Pharmaceuticals (Basel, Switzerland) 16 (1) (2022)
Moumen S Kamel, Amany Belal, Moustafa O Aboelez, E Kh Shokr, H Abdel-Ghany, Hany S Mansour, Ahmed Mahmoud Shawky, Mahmoud Abd El Aleem Ali Ali El-Remaily
Microwave-Assisted Synthesis, Biological Activity Evaluation, Molecular Docking, and ADMET Studies of Some Novel Pyrrolo [2,3- b ] Pyrrole Derivatives. Molecules (Basel, Switzerland) 27 (7) (2022)
Ehsan Ullah Rashid, N M A Hadia, Omaymah Alaysuy, Javed Iqbal, M M Hessien, Gaber A M Mersal, Rana Farhat Mehmood, Ahmed Mahmoud Shawky, Muhammad Imran Khan, Rasheed Ahmad Khera
Quantum chemical modification of indaceno dithiophene-based small acceptor molecules with enhanced photovoltaic aspects for highly efficient organic solar cells. RSC advances 12 (44) (2022)
Faiq Amin, Mahmoud A A Ibrahim, Syed Rizwan-Ul-Hasan, Saima Khaliq, Gamal A Gabr, null Muhammad, Asra Khan, Peter A Sidhom, Prashant Tikmani, Ahmed Mahmoud Shawky, Saara Ahmad, Syed Hani Abidi
Interactions of Apigenin and Safranal with the 5HT1A and 5HT2A Receptors and Behavioral Effects in Depression and Anxiety: A Molecular Docking, Lipid-Mediated Molecular Dynamics, and In Vivo Analysis. Molecules (Basel, Switzerland) 27 (24) (2022)
Mahmoud A A Ibrahim, Rehab R A Saeed, Mohammed N I Shehata, Muhammad Naeem Ahmed, Ahmed Mahmoud Shawky, Manal M Khowdiary, Eslam B Elkaeed, Mahmoud E S Soliman, Nayra A M Moussa
Type I-IV Halogen⋯Halogen Interactions: A Comparative Theoretical Study in Halobenzene⋯Halobenzene Homodimers. International journal of molecular sciences 23 (6) (2022)
Nourhan Hisham Shady, Hend Samy Abdullah, Sherif A Maher, Amgad Albohy, Mahmoud A Elrehany, Fatma Alzahraa Mokhtar, Hesham Farouk Oraby, Ahmed Mahmoud Shawky, Usama Ramadan Abdelmohsen
Antiulcer Potential of Psidium guajava Seed Extract Supported by Metabolic Profiling and Molecular Docking. Antioxidants (Basel, Switzerland) 11 (7) (2022)
Mahmoud A A Ibrahim, Al-Shimaa S M Rady, Asmaa M A Mandarawe, Lamiaa A Mohamed, Ahmed Mahmoud Shawky, Tamer H A Hasanin, Peter A Sidhom, Mahmoud E S Soliman, Nayra A M Moussa
Adsorption of Chlormethine Anti-Cancer Drug on Pure and Aluminum-Doped Boron Nitride Nanocarriers: A Comparative DFT Study. Pharmaceuticals (Basel, Switzerland) 15 (10) (2022)
Bilal Ahmad Khan, Syeda Shamila Hamdani, Saquib Jalil, Syeda Abida Ejaz, Jamshed Iqbal, Ahmed Mahmoud Shawky, Alaa M Alqahtani, Gamal A Gabr, Mahmoud A A Ibrahim, Peter A Sidhom
Synthesis and Evaluation of Novel S -alkyl Phthalimide- and S -benzyl-oxadiazole-quinoline Hybrids as Inhibitors of Monoamine Oxidase and Acetylcholinesterase. Pharmaceuticals (Basel, Switzerland) 16 (1) (2022)
Mahmoud A A Ibrahim, Amna H M Mahmoud, Gamal A H Mekhemer, Ahmed Mahmoud Shawky, Mahmoud E S Soliman, Nayra A M Moussa
Adsorption Behavior of Toxic Carbon Dichalcogenides (CX 2 ; X = O, S, or Se) on β 12 Borophene and Pristine Graphene Sheets: A DFT Study. Nanomaterials (Basel, Switzerland) 12 (19) (2022)
Faiq Amin, Mahmoud A A Ibrahim, Syed Rizwan-Ul-Hasan, Saima Khaliq, Gamal A Gabr, null Muhammad, Asra Khan, Peter A Sidhom, Prashant Tikmani, Ahmed Mahmoud Shawky, Saara Ahmad, Syed Hani Abidi
Interactions of Apigenin and Safranal with the 5HT1A and 5HT2A Receptors and Behavioral Effects in Depression and Anxiety: A Molecular Docking, Lipid-Mediated Molecular Dynamics, and In Vivo Analysis. Molecules (Basel, Switzerland) 27 (24) (2022)
Nourhan Hisham Shady, Nada M Mostafa, Shaimaa Fayez, Islam M Abdel-Rahman, Sherif A Maher, Ahmed Zayed, Entesar Ali Saber, Manal M Khowdiary, Mahmoud A Elrehany, Mubarak A Alzubaidi, Faisal H Altemani, Ahmed Mahmoud Shawky, Usama Ramadan Abdelmohsen
Mechanistic Wound Healing and Antioxidant Potential of Moringa oleifera Seeds Extract Supported by Metabolic Profiling, In Silico Network Design, Molecular Docking, and In Vivo Studies. Antioxidants (Basel, Switzerland) 11 (9) (2022)
Ahmed Mahmoud Shawky, Faisal A Almalki, Ashraf N Abdalla, Ahmed H Abdelazeem, Ahmed M Gouda
A Comprehensive Overview of Globally Approved JAK Inhibitors. Pharmaceutics 14 (5) (2022)
Mahmoud A A Ibrahim, Mohammed N I Shehata, Al-Shimaa S M Rady, Hassan A A Abuelliel, Heba S M Abd Elhafez, Ahmed Mahmoud Shawky, Hesham Farouk Oraby, Tamer H A Hasanin, Mahmoud E S Soliman, Nayra A M Moussa
Effects of Lewis Basicity and Acidity on σ-Hole Interactions in Carbon-Bearing Complexes: A Comparative Ab Initio Study. International journal of molecular sciences 23 (21) (2022)
Mahmoud A A Ibrahim, Alaa H M Abdelrahman, Laila A Jaragh-Alhadad, Montaser A M Al-Hammady, Othman R Alzahrani, Muhammad Naeem Ahmed, Moustafa Sherief Moustafa, Mahmoud E S Soliman, Ahmed Mahmoud Shawky, Paul W Paré, Mohamed-Elamir F Hegazy, Peter A Sidhom
Exploring Toxins for Hunting SARS-CoV-2 Main Protease Inhibitors: Molecular Docking, Molecular Dynamics, Pharmacokinetic Properties, and Reactome Study. Pharmaceuticals (Basel, Switzerland) 15 (2) (2022)
Bilal Ahmad Khan, Syeda Shamila Hamdani, Saquib Jalil, Syeda Abida Ejaz, Jamshed Iqbal, Ahmed Mahmoud Shawky, Alaa M Alqahtani, Gamal A Gabr, Mahmoud A A Ibrahim, Peter A Sidhom
Synthesis and Evaluation of Novel S -alkyl Phthalimide- and S -benzyl-oxadiazole-quinoline Hybrids as Inhibitors of Monoamine Oxidase and Acetylcholinesterase. Pharmaceuticals (Basel, Switzerland) 16 (1) (2022)
Faiq Amin, Mahmoud A A Ibrahim, Syed Rizwan-Ul-Hasan, Saima Khaliq, Gamal A Gabr, null Muhammad, Asra Khan, Peter A Sidhom, Prashant Tikmani, Ahmed Mahmoud Shawky, Saara Ahmad, Syed Hani Abidi
Interactions of Apigenin and Safranal with the 5HT1A and 5HT2A Receptors and Behavioral Effects in Depression and Anxiety: A Molecular Docking, Lipid-Mediated Molecular Dynamics, and In Vivo Analysis. Molecules (Basel, Switzerland) 27 (24) (2022)
Faiq Amin, Mahmoud A A Ibrahim, Syed Rizwan-Ul-Hasan, Saima Khaliq, Gamal A Gabr, null Muhammad, Asra Khan, Peter A Sidhom, Prashant Tikmani, Ahmed Mahmoud Shawky, Saara Ahmad, Syed Hani Abidi
Interactions of Apigenin and Safranal with the 5HT1A and 5HT2A Receptors and Behavioral Effects in Depression and Anxiety: A Molecular Docking, Lipid-Mediated Molecular Dynamics, and In Vivo Analysis. Molecules (Basel, Switzerland) 27 (24) (2022)
Mahmoud A A Ibrahim, Nayra A M Moussa, Afnan A K Kamel, Mohammed N I Shehata, Muhammad Naeem Ahmed, Fouad Taha, Mohammad A S Abourehab, Ahmed Mahmoud Shawky, Eslam B Elkaeed, Mahmoud E S Soliman
External Electric Field Effect on the Strength of σ-Hole Interactions: A Theoretical Perspective in Like⋯Like Carbon-Containing Complexes. Molecules (Basel, Switzerland) 27 (9) (2022)
Taha Farouk Shehata Ali, Halilibrahim Çiftçi, Mohamed Osman Radwan, Eslam Roshdy, Ahmed Mahmoud Shawky, Mohammad A S Abourehab, Hiroshi Tateishi, Masami Otsuka, Mikako Fujita
Discovery of Azaindolin-2-One as a Dual Inhibitor of GSK3β and Tau Aggregation with Potential Neuroprotective Activity. Pharmaceuticals (Basel, Switzerland) 15 (4) (2022)
Mahmoud A A Ibrahim, Khlood A A Abdeljawaad, Alaa H M Abdelrahman, Laila A Jaragh-Alhadad, Hesham Farouk Oraby, Eslam B Elkaeed, Gamal A H Mekhemer, Gamal A Gabr, Ahmed Mahmoud Shawky, Peter A Sidhom, Mahmoud E S Soliman, Mahmoud F Moustafa, Paul W Paré, Mohamed-Elamir F Hegazy
Exploring Natural Product Activity and Species Source Candidates for Hunting ABCB1 Transporter Inhibitors: An In Silico Drug Discovery Study. Molecules (Basel, Switzerland) 27 (10) (2022)
Essmat M El-Sheref, Mohammed A I Elbastawesy, Alan B Brown, Ahmed Mahmoud Shawky, Hesham A M Gomaa, Stefan Bräse, Bahaa G M Youssif
Design and Synthesis of (2-oxo-1,2-Dihydroquinolin-4-yl)-1,2,3-triazole Derivatives via Click Reaction: Potential Apoptotic Antiproliferative Agents. Molecules (Basel, Switzerland) 26 (22) (2021)
Ahmed Mahmoud Shawky, Maha Farouk El-Tohamy
Highly Functionalized Modified Metal Oxides Polymeric Sensors for Potentiometric Determination of Letrozole in Commercial Oral Tablets and Biosamples. Polymers 13 (9) (2021)
Faisal A Almalki, Ahmed Mahmoud Shawky, Ashraf N Abdalla, Ahmed M Gouda
Icotinib, Almonertinib, and Olmutinib: A 2D Similarity/Docking-Based Study to Predict the Potential Binding Modes and Interactions into EGFR. Molecules (Basel, Switzerland) 26 (21) (2021)
Faisal A Almalki, Ashraf N Abdalla, Ahmed Mahmoud Shawky, Mahmoud A El Hassab, Ahmed M Gouda
In Silico Approach Using Free Software to Optimize the Antiproliferative Activity and Predict the Potential Mechanism of Action of Pyrrolizine-Based Schiff Bases. Molecules (Basel, Switzerland) 26 (13) (2021)