Quantum-mechanics-based molecular interaction fields for 3D-QSAR

por ElKerdawy, Ahmed, Güssregen, Stefan, Matter, Hans, Hennemann, Matthias, Clark, Timothy
Publicado 2014

Identification of the Beer Component Hordenine as Food-Derived Dopamine D2 Receptor Agonist by Virtual Screening a 3D Compound Database

por Sommer, Thomas, Hübner, Harald, El Kerdawy, Ahmed, Gmeiner, Peter, Pischetsrieder, Monika, Clark, Timothy
Publicado 2017

QSRR modeling of the chromatographic retention behavior of some quinolone and sulfonamide antibacterial agents using firefly algorithm coupled to support vector machine

por Fouad, Marwa A., Serag, Ahmed, Tolba, Enas H., El-Shal, Manal A., El Kerdawy, Ahmed M.
Publicado 2022

Novel oxindole/benzofuran hybrids as potential dual CDK2/GSK-3β inhibitors targeting breast cancer: design, synthesis, biological evaluation, and in silico studies

por Eldehna, Wagdy M., Al-Rashood, Sara T., Al-Warhi, Tarfah, Eskandrani, Razan O., Alharbi, Amal, El Kerdawy, Ahmed M.
Publicado 2020

Discovery of a new potent oxindole multi-kinase inhibitor among a series of designed 3-alkenyl-oxindoles with ancillary carbonic anhydrase inhibitory activity as antiproliferative...

por Ismail, Rania S. M., El Kerdawy, Ahmed M., Soliman, Dalia H., Georgey, Hanan H., Abdel Gawad, Nagwa M., Angeli, Andrea, Supuran, Claudiu T.
Publicado 2023

Identification of 3-(piperazinylmethyl)benzofuran derivatives as novel type II CDK2 inhibitors: design, synthesis, biological evaluation, and in silico insights

por Eldehna, Wagdy M., Maklad, Raed M., Almahli, Hadia, Al-Warhi, Tarfah, Elkaeed, Eslam B., Abourehab, Mohammed A. S., Abdel-Aziz, Hatem A., El Kerdawy, Ahmed M.
Publicado 2022

Synthesis, Biological Evaluation and In Silico Studies of Certain Oxindole–Indole Conjugates as Anticancer CDK Inhibitors

por Al-Warhi, Tarfah, El Kerdawy, Ahmed M., Aljaeed, Nada, Ismael, Omnia E., Ayyad, Rezk R., Eldehna, Wagdy M., Abdel-Aziz, Hatem A., Al-Ansary, Ghada H.
Publicado 2020

Novel 2-(5-Aryl-4,5-Dihydropyrazol-1-yl)thiazol-4-One as EGFR Inhibitors: Synthesis, Biological Assessment and Molecular Docking Insights

por Al-Warhi, Tarfah, El Kerdawy, Ahmed M, Said, Mohamed A, Albohy, Amgad, Elsayed, Zainab M, Aljaeed, Nada, Elkaeed, Eslam B, Eldehna, Wagdy M, Abdel-Aziz, Hatem A, Abdelmoaz, Miral A
Publicado 2022

Targeting Receptor Tyrosine Kinase VEGFR-2 in Hepatocellular Cancer: Rational Design, Synthesis and Biological Evaluation of 1,2-Disubstituted Benzimidazoles

por Abdel-Mohsen, Heba T., Abdullaziz, Mona A., El Kerdawy, Ahmed M., Ragab, Fatma A. F., Flanagan, Keith J., Mahmoud, Abeer E. E., Ali, Mamdouh M., El Diwani, Hoda I., Senge, Mathias O.
Publicado 2020