Selected Publications
Recent
Atta, A.M., Rihan, N., Abdelwaly, A.M., Nafie, M.S., Elgawish, M.S., Moustafa, S.M., Helal, M.A., & Darwish, K.M. (2025). Development, biological evaluation, and molecular modelling of novel isocytosine and guanidine derivatives as BACE1 inhibitors using a fragment growing strategy. RSC Med Chem. England. 10.1039/d4md00698d
Gad, M.M., Abdelwaly, A., & Helal, M.A. (2023). Structural basis for the selectivity of 3rd generation EGFR inhibitors: a molecular dynamics study. J Biomol Struct Dyn, 41(13), 6134-6144. England. 10.1080/07391102.2022.2103028
Galal, K.A., Truong, A., Kwarcinski, F., Silva, C.d., Avalani, K., Havener, T.M., Chirgwin, M.E., Merten, E., Ong, H.W., Willis, C., Abdelwaly, A., Helal, M.A., Derbyshire, E.R., Zutshi, R., & Drewry, D.H. (2022). Identification of Novel 2,4,5-Trisubstituted Pyrimidines as Potent Dual Inhibitors of Plasmodial PfGSK3/PfPK6 with Activity against Blood Stage Parasites In Vitro. J Med Chem, 65(19), 13172-13197. United States. 10.1021/acs.jmedchem.2c00996
Elkholy, N., Abdelwaly, A., Mohamed, K., Amata, E., Lombino, J., Cosentino, G., Intagliata, S., & Helal, M.A. (2022). Discovery of 3-(2-aminoethyl)-thiazolidine-2,4-diones as a novel chemotype of sigma-1 receptor ligands. Chem Biol Drug Des, 100(1), 25-40. England. 10.1111/cbdd.14047
Helal, M.A., Shouman, S., Abdelwaly, A., Elmehrath, A.O., Essawy, M., Sayed, S.M., Saleh, A.H., & El-Badri, N. (2022). Molecular basis of the potential interaction of SARS-CoV-2 spike protein to CD147 in COVID-19 associated-lymphopenia. J Biomol Struct Dyn, 40(3), 1109-1119. England. 10.1080/07391102.2020.1822208
Darwish, K.M., Abdelwaly, A., Atta, A.M., & Helal, M.A. (2022). Discovery of tetrahydro-β-carboline- and indole-based derivatives as promising phosphodiesterase-4 inhibitors: Synthesis, biological evaluation, and molecular modeling studies. Journal of Molecular Structure, 1248, 131491-131491. Elsevier BV. doi: 10.1016/j.molstruc.2021.131491.
Saleh, A.H., Abdelwaly, A., Darwish, K.M., Eissa, A.A., Chittiboyina, A., & Helal, M.A. (2021). Deciphering the molecular basis of the kappa opioid receptor selectivity: A Molecular Dynamics study. J Mol Graph Model, 106, 107940. United States. 10.1016/j.jmgm.2021.107940