El Kerdawy AM - Search Results

1

Correlating physico-chemical properties of analytes with Hansen solubility parameters of solvents using machine learning algorithm for predicting suitable extraction solvent.

Mostafa EA, Azim MA, ElZaher AA, ElKady EF, Fouad MA, Ghazy FH, Radi EA, El Makarim Saleh MA, El Kerdawy AM. Mostafa EA, et al. Among authors: el kerdawy am. Sci Rep. 2024 Aug 13;14(1):18741. doi: 10.1038/s41598-024-68981-9. Sci Rep. 2024. PMID: 39138274 Free PMC article.

2

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

3

Quantum mechanics-based properties for 3D-QSAR.

El Kerdawy A, Güssregen S, Matter H, Hennemann M, Clark T. El Kerdawy A, et al. J Chem Inf Model. 2013 Jun 24;53(6):1486-502. doi: 10.1021/ci400181b. Epub 2013 Jun 5. J Chem Inf Model. 2013. PMID: 23692495

4

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

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

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

7

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

8

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

Fouad MA, Serag A, Tolba EH, El-Shal MA, El Kerdawy AM. Fouad MA, et al. Among authors: el shal ma, el kerdawy am. BMC Chem. 2022 Nov 3;16(1):85. doi: 10.1186/s13065-022-00874-2. BMC Chem. 2022. PMID: 36329493 Free PMC article.

9

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.

10

Discovery of novel quinolin-2-one derivatives as potential GSK-3β inhibitors for treatment of Alzheimer's disease: Pharmacophore-based design, preliminary SAR, in vitro and in vivo biological evaluation.

Abdo Moustafa E, Abdelrasheed Allam H, Fouad MA, El Kerdawy AM, Nasser Eid El-Sayed N, Wagner C, Abdel-Aziz HA, Abdel Fattah Ezzat M. Abdo Moustafa E, et al. Among authors: el kerdawy am. Bioorg Chem. 2024 May;146:107324. doi: 10.1016/j.bioorg.2024.107324. Epub 2024 Mar 30. Bioorg Chem. 2024. PMID: 38569322

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