El Kerdawy AM - Search Results

1

Discovery of dual rho-associated protein kinase 1 (ROCK1)/apoptosis signal-regulating kinase 1 (ASK1) inhibitors as a novel approach for non-alcoholic steatohepatitis (NASH) treatment.

Zaky YA, Rashad MW, Zaater MA, El Kerdawy AM. Zaky YA, et al. Among authors: el kerdawy am. BMC Chem. 2024 Jan 3;18(1):2. doi: 10.1186/s13065-023-01081-3. BMC Chem. 2024. PMID: 38172941 Free PMC article.

2

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.

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

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

6

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

7

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

8

Receptor-based pharmacophore modeling, virtual screening, and molecular docking studies for the discovery of novel GSK-3β inhibitors.

El Kerdawy AM, Osman AA, Zaater MA. El Kerdawy AM, et al. J Mol Model. 2019 May 25;25(6):171. doi: 10.1007/s00894-019-4032-5. J Mol Model. 2019. PMID: 31129879

9

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.

10

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 agents.

Ismail RSM, El Kerdawy AM, Soliman DH, Georgey HH, Abdel Gawad NM, Angeli A, Supuran CT. Ismail RSM, et al. Among authors: el kerdawy am. BMC Chem. 2023 Jul 18;17(1):81. doi: 10.1186/s13065-023-00994-3. BMC Chem. 2023. PMID: 37461110 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

60 results

Search Page

Filters