El Kerdawy AM - Search Results

1

Discovery of dual kinase inhibitors targeting VEGFR2 and FAK: structure-based pharmacophore modeling, virtual screening, and molecular docking studies.

Fouad MA, Osman AA, Abdelhamid NM, Rashad MW, Nabawy AY, El Kerdawy AM. Fouad MA, et al. Among authors: el kerdawy am. BMC Chem. 2024 Feb 12;18(1):29. doi: 10.1186/s13065-024-01130-5. BMC Chem. 2024. PMID: 38347617 Free PMC article.

2

Predicting the sites and energies of noncovalent intermolecular interactions using local properties.

El Kerdawy A, Wick CR, Hennemann M, Clark T. El Kerdawy A, et al. J Chem Inf Model. 2012 Apr 23;52(4):1061-71. doi: 10.1021/ci300095x. Epub 2012 Apr 13. J Chem Inf Model. 2012. PMID: 22458324

3

Directional Noncovalent Interactions: Repulsion and Dispersion.

El Kerdawy A, Murray JS, Politzer P, Bleiziffer P, Heßelmann A, Görling A, Clark T. El Kerdawy A, et al. J Chem Theory Comput. 2013 May 14;9(5):2264-75. doi: 10.1021/ct400185f. Epub 2013 Apr 24. J Chem Theory Comput. 2013. PMID: 26583720

4

Economical and accurate protocol for calculating hydrogen-bond-acceptor strengths.

El Kerdawy A, Tautermann CS, Clark T, Fox T. El Kerdawy A, et al. J Chem Inf Model. 2013 Dec 23;53(12):3262-72. doi: 10.1021/ci4006222. Epub 2013 Dec 11. J Chem Inf Model. 2013. PMID: 24289323

5

Conformation-dependent QSPR models: logPOW.

Muehlbacher M, El Kerdawy A, Kramer C, Hudson B, Clark T. Muehlbacher M, et al. J Chem Inf Model. 2011 Sep 26;51(9):2408-16. doi: 10.1021/ci200276v. Epub 2011 Aug 29. J Chem Inf Model. 2011. PMID: 21842864

6

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

Elkerdawy A, Güssregen S, Matter H, Hennemann M, Clark T. Elkerdawy A, et al. J Cheminform. 2014 Mar 11;6(Suppl 1):O10. doi: 10.1186/1758-2946-6-S1-O10. eCollection 2014 Mar. J Cheminform. 2014. PMID: 24765108 Free PMC article. No abstract available.

7

Synthesis and molecular docking of new imidazoquinazolinones as analgesic agents and selective COX-2 inhibitors.

Hassanein HH, Georgey HH, Fouad MA, El Kerdawy AM, Said MF. Hassanein HH, et al. Among authors: el kerdawy am. Future Med Chem. 2017 Apr;9(6):553-578. doi: 10.4155/fmc-2016-0240. Epub 2017 Apr 10. Future Med Chem. 2017. PMID: 28394629

8

QSRR modeling for the chromatographic retention behavior of some β-lactam antibiotics using forward and firefly variable selection algorithms coupled with multiple linear regression.

Fouad MA, Tolba EH, El-Shal MA, El Kerdawy AM. Fouad MA, et al. Among authors: el shal ma, el kerdawy am. J Chromatogr A. 2018 May 11;1549:51-62. doi: 10.1016/j.chroma.2018.03.042. Epub 2018 Mar 21. J Chromatogr A. 2018. PMID: 29605180

9

Type IIA - Type IIB protein tyrosine kinase inhibitors hybridization as an efficient approach for potent multikinase inhibitor development: Design, synthesis, anti-proliferative activity, multikinase inhibitory activity and molecular modeling of novel indolinone-based ureides and amides.

Eldehna WM, El Kerdawy AM, Al-Ansary GH, Al-Rashood ST, Ali MM, Mahmoud AE. Eldehna WM, et al. Among authors: el kerdawy am. Eur J Med Chem. 2019 Feb 1;163:37-53. doi: 10.1016/j.ejmech.2018.11.061. Epub 2018 Nov 24. Eur J Med Chem. 2019. PMID: 30503942

10

New thiazol-hydrazono-coumarin hybrids targeting human cervical cancer cells: Synthesis, CDK2 inhibition, QSAR and molecular docking studies.

Abd El-Karim SS, Syam YM, El Kerdawy AM, Abdelghany TM. Abd El-Karim SS, et al. Among authors: el kerdawy am. Bioorg Chem. 2019 May;86:80-96. doi: 10.1016/j.bioorg.2019.01.026. Epub 2019 Jan 19. Bioorg Chem. 2019. PMID: 30685646

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