Terminators or Guardians? Design, Synthesis, and Cytotoxicity Profiling of Chalcone-Sulfonamide Hybrids

por Aboukhatwa, Shaimaa M., Sidhom, Peter A., Angeli, Andrea, Supuran, Claudiu T., Tawfik, Haytham O.
Publicado 2023

Spinal versus general anesthesia for patients undergoing outpatient total knee arthroplasty: a national propensity matched analysis of early postoperative outcomes

por Kendall, Mark C., Cohen, Alexander D., Principe-Marrero, Stephanie, Sidhom, Peter, Apruzzese, Patricia, De Oliveira, Gildasio
Publicado 2021

Synthesis, X-ray diffraction analysis, quantum chemical studies and α-amylase inhibition of probenecid derived S-alkylphthalimide-oxadiazole-benzenesulfonamide hybrids

por Khan, Bilal Ahmad, Hamdani, Syeda Shamila, Ahmed, Muhammad Naeem, Hameed, Shahid, Ashfaq, Muhammad, Shawky, Ahmed M., Ibrahim, Mahmoud A. A., Sidhom, Peter A.
Publicado 2022

Density functional theory study of the corrosion inhibition performance of 6-mercaptopurine and 6-thioguanine expired drugs toward the aluminium (111) surface

por Ibrahim, Mahmoud A. A., Moussa, Nayra A. M., Mahmoud, Amna H. M., Sayed, Shaban R. M., Sidhom, Peter A., Abd El-Rahman, Mohamed K., Shoeib, Tamer, Mohamed, Lamiaa A.
Publicado 2023

Synthesis and Evaluation of Novel S-alkyl Phthalimide- and S-benzyl-oxadiazole-quinoline Hybrids as Inhibitors of Monoamine Oxidase and Acetylcholinesterase

por Khan, Bilal Ahmad, Hamdani, Syeda Shamila, Jalil, Saquib, Ejaz, Syeda Abida, Iqbal, Jamshed, Shawky, Ahmed M., Alqahtani, Alaa M., Gabr, Gamal A., Ibrahim, Mahmoud A. A., Sidhom, Peter A.
Publicado 2022

In-Silico Mining of the Toxins Database (T3DB) towards Hunting Prospective Candidates as ABCB1 Inhibitors: Integrated Molecular Docking and Lipid Bilayer-Enhanced Molecular Dynamic...

por Ibrahim, Mahmoud A. A., Abdeljawaad, Khlood A. A., Abdelrahman, Alaa H. M., Sidhom, Peter A., Tawfeek, Ahmed M., Mekhemer, Gamal A. H., Abd El-Rahman, Mohamed K., Dabbish, Eslam, Shoeib, Tamer
Publicado 2023

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, a...

por Amin, Faiq, Ibrahim, Mahmoud A. A., Rizwan-ul-Hasan, Syed, Khaliq, Saima, Gabr, Gamal A., Muhammad, Khan, Asra, Sidhom, Peter A., Tikmani, Prashant, Shawky, Ahmed M., Ahmad, Saara, Abidi, Syed Hani
Publicado 2022

On the Use of Graphene Nanosheets for Drug Delivery: A Case Study of Cisplatin and Some of Its Analogs

por Ibrahim, Mahmoud A. A., Hamad, Manar H. A., Mahmoud, Amna H. M., Mekhemer, Gamal A. H., Sayed, Shaban R. M., El-Rahman, Mohamed K. Abd, Sidhom, Peter A., Dabbish, Eslam, Shoeib, Tamer
Publicado 2023

Elucidating the adsorption of 2-Mercaptopyridine drug on the aluminum phosphide (Al(12)P(12)) nanocage: A DFT study

por Rady, Al-shimaa S.M., Moussa, Nayra A.M., Mohamed, Lamiaa A., Sidhom, Peter A., Sayed, Shaban R.M., Abd El-Rahman, Mohamed K., Dabbish, Eslam, Shoeib, Tamer, Ibrahim, Mahmoud A.A.
Publicado 2023

Adsorption of Chlormethine Anti-Cancer Drug on Pure and Aluminum-Doped Boron Nitride Nanocarriers: A Comparative DFT Study

por Ibrahim, Mahmoud A. A., Rady, Al-shimaa S. M., Mandarawe, Asmaa M. A., Mohamed, Lamiaa A., Shawky, Ahmed M., Hasanin, Tamer H. A., Sidhom, Peter A., Soliman, Mahmoud E. S., Moussa, Nayra A. M.
Publicado 2022

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

por Ibrahim, Mahmoud A. A., Hamad, Manar H. A., Mahmoud, Amna H. M., Mekhemer, Gamal A. H., Sidhom, Peter A., Sayed, Shaban R. M., Moussa, Nayra A. M., Rabee, Abdallah I. M., Dabbish, Eslam, Shoeib, Tamer
Publicado 2023

Preferability of Molnupiravir, an Anti-COVID-19 Drug, toward Purine Nucleosides: A Quantum Mechanical Study

por Ibrahim, Mahmoud A. A., Shehata, Mohammed N. I., Moussa, Nayra A. M., Hemia, Randa R. A., Abd Elhafez, Heba S. M., Abd El-Rahman, Mohamed K., Sayed, Shaban R. M., Sidhom, Peter A., Dabbish, Eslam, Shoeib, Tamer
Publicado 2023

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

por Ibrahim, Mahmoud A. A., Abdelhamid, Mahmoud M. H., Abdeljawaad, Khlood A. A., Abdelrahman, Alaa H. M., Mekhemer, Gamal A. H., Sidhom, Peter A., Sayed, Shaban R. M., Paré, Paul W., Hegazy, Mohamed-Elamir F., Shoeib, Tamer
Publicado 2023

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

por Ibrahim, Mahmoud A. A., Abdeljawaad, Khlood A. A., Abdelrahman, Alaa H. M., Abdelhamid, Mahmoud M. H., Naeem, Mohamed Ahmed, Mekhemer, Gamal A. H., Sidhom, Peter A., Sayed, Shaban R. M., Paré, Paul W., Hegazy, Mohamed-Elamir F.
Publicado 2023

Chetomin, a SARS-CoV-2 3C-like Protease (3CL(pro)) Inhibitor: In Silico Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis

por Ibrahim, Mahmoud A. A., Abdelrahman, Alaa H. M., Mohamed, Dina E. M., Abdeljawaad, Khlood A. A., Naeem, Mohamed Ahmed, Gabr, Gamal A., Shawky, Ahmed M., Soliman, Mahmoud E. S., Sidhom, Peter A., Paré, Paul W., Hegazy, Mohamed-Elamir F.
Publicado 2023

In silico drug discovery of SIRT2 inhibitors from natural source as anticancer agents

por Ibrahim, Mahmoud A. A., Abdeljawaad, Khlood A. A., Roshdy, Eslam, Mohamed, Dina E. M., Ali, Taha F. S., Gabr, Gamal A., Jaragh-Alhadad, Laila A., Mekhemer, Gamal A. H., Shawky, Ahmed M., Sidhom, Peter A., Abdelrahman, Alaa H. M.
Publicado 2023

Exploring Probenecid Derived 1,3,4-Oxadiazole-Phthalimide Hybrid as α-Amylase Inhibitor: Synthesis, Structural Investigation, and Molecular Modeling

por Khan, Bilal Ahmad, Hamdani, Syeda Shamila, Khalid, Muhammad, Ashfaq, Muhammad, Munawar, Khurram Shahzad, Tahir, Muhammad Nawaz, Braga, Ataualpa A. C., Shawky, Ahmed M., Alqahtani, Alaa M., Abourehab, Mohammed A. S., Gabr, Gamal A., Ibrahim, Mahmoud A. A., Sidhom, Peter A.
Publicado 2023

Exploring Toxins for Hunting SARS-CoV-2 Main Protease Inhibitors: Molecular Docking, Molecular Dynamics, Pharmacokinetic Properties, and Reactome Study

por Ibrahim, Mahmoud A. A., Abdelrahman, Alaa H. M., Jaragh-Alhadad, Laila A., Atia, Mohamed A. M., Alzahrani, Othman R., Ahmed, Muhammad Naeem, Moustafa, Moustafa Sherief, Soliman, Mahmoud E. S., Shawky, Ahmed M., Paré, Paul W., Hegazy, Mohamed-Elamir F., Sidhom, Peter A.
Publicado 2022

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

por Ibrahim, Mahmoud A. A., Abdelrahman, Alaa H. M., Badr, Esraa A. A., Almansour, Nahlah Makki, Alzahrani, Othman R., Ahmed, Muhammad Naeem, Soliman, Mahmoud E. S., Naeem, Mohamed Ahmed, Shawky, Ahmed M., Sidhom, Peter A., Mekhemer, Gamal A. H., Atia, Mohamed A. M.
Publicado 2022

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

por Ibrahim, Mahmoud A. A., Abdeljawaad, Khlood A. A., Abdelrahman, Alaa H. M., Jaragh-Alhadad, Laila A., Oraby, Hesham Farouk, Elkaeed, Eslam B., Mekhemer, Gamal A. H., Gabr, Gamal A., Shawky, Ahmed M., Sidhom, Peter A., Soliman, Mahmoud E. S., Moustafa, Mahmoud F., Paré, Paul W., Hegazy, Mohamed-Elamir F.
Publicado 2022