Publications of the Department of Pharmaceutical Organic Chemistry 2021
El-Husseiny, W.M., 2021. Synthesis and Biological Evaluation of New 3-Phenylthiazolidin-4-One and 3-Phenylthiazole Derivatives as Antimicrobial Agents. Polycyclic Aromatic Compounds, 41(9), pp.1988-2002. https://www.tandfonline.com/doi/full/10.1080/10406638.2019.1708420
El-Husseiny, W.M., 2021. Synthesis and Biological Evaluation of New 3-Phenylthiazolidin-4-One and 3-Phenylthiazole Derivatives as Antimicrobial Agents. Polycyclic Aromatic Compounds, 41(9), pp.1988-2002. https://doi.org/10.1080/10406638.2019.1708420.
El-Halaby, L.O., El-Husseiny, W.M., El-Messery, S.M. and Goda, F.E., 2021. Biphenylpiperazine Based MAO Inhibitors: Synthesis, Biological Evaluation, Reversibility and Molecular Modeling Studies. Bioorganic Chemistry, 115, p.105216. https://www.sciencedirect.com/science/article/pii/S0045206821005939?via%3Dihub
Elkot, H.A., Ragab, I., Saleh, N.M., Amin, M.N., Al-Rashood, S.T., El-Messery, S.M. and Hassan, G.S., 2021. Design, synthesis, and antitumor activity of PLGA nanoparticles incorporating a discovered benzimidazole derivative as EZH2 inhibitor. Chemico-Biological Interactions, 344, p.109530. https://www.sciencedirect.com/science/article/pii/S0009279721001666?via%3Dihub
El-Khouly, O.A., Henen, M.A., Magda, A.A., Shabaan, M.I. and El-Messery, S.M., 2021. Synthesis, anticancer and antimicrobial evaluation of new benzofuran based derivatives: PI3K inhibition, quorum sensing and molecular modeling study. Bioorganic & medicinal chemistry, 31, p.115976. https://www.sciencedirect.com/science/article/pii/S0968089620308063?via%3Dihub
Fares, S., Selim, K.B., Goda, F.E., El-Sayed, M.A., AlSaif, N.A., Hefnawy, M.M., Abdel-Aziz, A.A.M. and El-Azab, A.S., 2021. Design, synthesis, and analysis of antiproliferative and apoptosis-inducing activities of nitrile derivatives containing a benzofuran scaffold: EGFR inhibition assay and molecular modelling study. Journal of Enzyme Inhibition and Medicinal Chemistry, 36(1), pp.1488-1499. https://www.tandfonline.com/doi/full/10.1080/14756366.2021.1946044
El-Halaby, L.O., El-Husseiny, W.M., El-Messery, S.M. and Goda, F.E., 2021. Biphenylpiperazine Based MAO Inhibitors: Synthesis, Biological Evaluation, Reversibility and Molecular Modeling Studies. Bioorganic Chemistry, 115, p.105216. https://doi.org/10.1016/j.bioorg.2021.105216
Guo, P., Farahat, A.A., Paul, A., Boykin, D.W. and Wilson, W.D., 2021. Engineered modular heterocyclic-diamidines for sequence-specific recognition of mixed AT/GC base pairs at the DNA minor groove. Chemical science, 12(48), pp.15849-15861. https://pubs.rsc.org/en/content/articlelanding/2021/SC/D1SC04720E
Tawfik, S.S., Zarechian, S. and Farahat, A.A., 2021. Synthesis and anti-influenza activity of five member heterocycles containing compounds: a mini review. ARKIVOC: Online Journal of Organic Chemistry, 2021.https://www.arkat-usa.org/arkivoc-journal/browse-arkivoc/ark.5550190.p011.602
Farahat, A.A., Iwamoto, S., Roche, M. and Boykin, D.W., 2021. Facile synthesis of benzobisimidazole and bibenzimidazole‐based bisnitriles as potential precursors for DNA minor groove binders. Journal of Heterocyclic Chemistry, 58(12), pp.2280-2286. https://onlinelibrary.wiley.com/doi/10.1002/jhet.4353
Lee, K., Nada, H., Byun, H.J., Lee, C.H. and Elkamhawy, A., 2021. Hit Identification of a Novel Quinazoline Sulfonamide as a Promising EphB3 Inhibitor: Design, Virtual Combinatorial Library, Synthesis, Biological Evaluation, and Docking Simulation Studies. Pharmaceuticals, 14(12), p.1247. https://www.mdpi.com/1424-8247/14/12/1247
Elkamhawy, A., Kim, H.J., Elsherbeny, M.H., Paik, S., Park, J.H., Gotina, L., Abdellattif, M.H., Gouda, N.A., Cho, J., Lee, K. and Pae, A.N., 2021. Discovery of 3, 4-dichloro-N-(1H-indol-5-yl) benzamide: A highly potent, selective, and competitive hMAO-B inhibitor with high BBB permeability profile and neuroprotective action. Bioorganic Chemistry, 116, p.105352.https://www.sciencedirect.com/science/article/pii/S004520682100729X?via%3Dihub
Elsherbeny, M.H., Kim, J., Gouda, N.A., Gotina, L., Cho, J., Pae, A.N., Lee, K., Park, K.D., Elkamhawy, A. and Roh, E.J., 2021. Highly Potent, Selective, and Competitive Indole-Based MAO-B Inhibitors Protect PC12 Cells against 6-Hydroxydopamine-and Rotenone-Induced Oxidative Stress. Antioxidants, 10(10), p.1641.https://www.mdpi.com/2076-3921/10/10/1641
Elkamhawy, A., Woo, J., Gouda, N.A., Kim, J., Nada, H., Roh, E.J., Park, K.D., Cho, J. and Lee, K., 2021. Melatonin Analogues Potently Inhibit MAO-B and Protect PC12 Cells against Oxidative Stress. Antioxidants, 10(10), p.1604. https://www.mdpi.com/2076-3921/10/10/1604
Elkamhawy, A., Paik, S., Park, J.H., Kim, H.J., Hassan, A.H., Lee, K., Park, K.D. and Roh, E.J., 2021. Discovery of novel and potent safinamide-based derivatives as highly selective hMAO-B inhibitors for treatment of Parkinson's disease (PD): Design, synthesis, in vitro, in vivo and in silico biological studies. Bioorganic Chemistry, 115, p.105233. https://www.sciencedirect.com/science/article/pii/S0045206821006106?via%3Dihub
Elsherbeny, M.H., Elkamhawy, A., Nada, H., Abdellattif, M.H., Lee, K. and Roh, E.J., 2021. Development of New Meridianin/Leucettine-Derived Hybrid Small Molecules as Nanomolar Multi-Kinase Inhibitors with Antitumor Activity. Biomedicines, 9(9), p.1131. https://www.mdpi.com/2227-9059/9/9/1131
Elkamhawy, A., Ammar, U.M., Paik, S., Abdellattif, M.H., Elsherbeny, M.H., Lee, K. and Roh, E.J., 2021. Scaffold repurposing of in-house small molecule candidates leads to discovery of first-in-class CDK-1/HER-2 dual inhibitors: in vitro and in silico screening. Molecules, 26(17), p.5324. https://www.mdpi.com/1420-3049/26/17/5324
Elkamhawy, A., Ali, E.M. and Lee, K., 2021. New horizons in drug discovery of lymphocyte-specific protein tyrosine kinase (Lck) inhibitors: a decade review (2011–2021) focussing on structure–activity relationship (SAR) and docking insights. Journal of Enzyme Inhibition and Medicinal Chemistry, 36(1), pp.1572-1600. https://www.tandfonline.com/doi/full/10.1080/14756366.2021.1937143
Elkamhawy, A., Lu, Q., Nada, H., Woo, J., Quan, G. and Lee, K., 2021. The Journey of DDR1 and DDR2 Kinase Inhibitors as Rising Stars in the Fight Against Cancer. International Journal of Molecular Sciences, 22(12), p.6535. https://doi.org/10.3390/ijms22126535.
Nada, H., Elkamhawy, A. and Lee, K., 2021. Structure activity relationship of key heterocyclic anti-angiogenic leads of promising potential in the fight against cancer. Molecules, 26(3), p.553. https://www.mdpi.com/1420-3049/26/3/553
Nichols, P.J., Bevers, S., Henen, M., Kieft, J.S., Vicens, Q. and Vögeli, B., 2021. Recognition of non-CpG repeats in Alu and ribosomal RNAs by the Z-RNA binding domain of ADAR1 induces AZ junctions. Nature communications, 12(1), pp.1-15. https://www.nature.com/articles/s41467-021-21039-0
Henen, M.A., Myers, W., Schmitt, L.R., Wade, K.J., Born, A., Nichols, P.J. and Vögeli, B., 2021. The Disordered Spindly C-terminus Interacts with RZZ Subunits ROD-1 and ZWL-1 in the Kinetochore through the Same Sites in C. Elegans. Journal of Molecular Biology, 433(4), p.166812. https://www.sciencedirect.com/science/article/pii/S0022283621000061?via%3Dihub
Tengesdal, I.W., Menon, D.R., Osborne, D.G., Neff, C.P., Powers, N.E., Gamboni, F., Mauro, A.G., D’Alessandro, A., Stefanoni, D., Henen, M.A. and Mills, T.S., 2021. Targeting tumor-derived NLRP3 reduces melanoma progression by limiting MDSCs expansion. Proceedings of the National Academy of Sciences, 118(10). https://www.pnas.org/doi/full/10.1073/pnas.2000915118
Alexeev, E.E., Dowdell, A.S., Henen, M.A., Lanis, J.M., Lee, J.S., Cartwright, I.M., Schaefer, R.E., Ornelas, A., Onyiah, J.C., Vögeli, B. and Colgan, S.P., 2021. Microbial‐derived indoles inhibit neutrophil myeloperoxidase to diminish bystander tissue damage. The FASEB Journal, 35(5), p.e21552. https://faseb.onlinelibrary.wiley.com/doi/10.1096/fj.202100027R
Redzic, J.S., Lee, E., Born, A., Issaian, A., Henen, M.A., Nichols, P.J., Blue, A., Hansen, K.C., D'Alessandro, A., Vögeli, B. and Eisenmesser, E.Z., 2021. The inherent dynamics and interaction sites of the SARS-CoV-2 nucleocapsid N-terminal region. Journal of Molecular Biology, 433(15), p.167108. https://www.sciencedirect.com/science/article/pii/S0022283621003326?via%3Dihub
Born, A., Soetbeer, J., Breitgoff, F., Henen, M.A., Sgourakis, N., Polyhach, Y., Nichols, P.J., Strotz, D., Jeschke, G. and Vogeli, B., 2021. Reconstruction of Coupled Intra-and Interdomain Protein Motion from Nuclear and Electron Magnetic Resonance. Journal of the American Chemical Society, 143(39), pp.16055-16067. https://pubs.acs.org/doi/10.1021/jacs.1c06289
Nichols, P.J., Henen, M.A., Vicens, Q. and Vögeli, B., 2021. Solution NMR backbone assignments of the N-terminal Zα-linker-Zβ segment from Homo sapiens ADAR1p150. Biomolecular NMR Assignments, 15(2), pp.273-279. https://link.springer.com/article/10.1007/s12104-021-10017-8
Born, A., Henen, M.A., Nichols, P.J. and Vögeli, B., 2021. On the use of residual dipolar couplings in multi-state structure calculation of two-domain proteins. Magnetic Resonance Letters. https://www.sciencedirect.com/science/article/pii/S2772516221000334?via%3Dihub
Vogeli, B., Born, A., Soetbeer, J., Henen, M., Breitgoff, F., Polyhach, Y. and Jeschke, G., 2021. Ligand-specific conformational change drives interdomain allostery in Pin1.https://www.researchsquare.com/article/rs-1093618/v1Mansour, B., Henen, M.A., Bayoumi, W.A., El-Sayed, M.A. and Massoud, M.A., 2021. In colorectal cancer; NMR-monitored β-Catenin inhibition by a Quinoline derivative using Water-LOGSY technique. Journal of Molecular Structure, 1246, p.131151.https://www.sciencedirect.com/science/article/pii/S0022286021012813?via%3Dihub
Al-Wahaibi, L.H., Mohamed, A.A., Tawfik, S.S., Hassan, H.M. and El-Emam, A.A., 2021. 1, 3, 4-Oxadiazole N-Mannich bases: synthesis, antimicrobial, and anti-proliferative activities. Molecules, 26(8), p.2110. https://www.mdpi.com/1420-3049/26/8/2110
Al-Wahaibi, L.H., Grandhi, D.S., Tawfik, S.S., Al-Shaalan, N.H., Elmorsy, M.A., El-Emam, A.A., Percino, M.J. and Thamotharan, S., 2021. Probing the effect of halogen substituents (Br, Cl, and F) on the non-covalent interactions in 1-(adamantan-1-yl)-3-arylthiourea derivatives: A Theoretical Study. ACS omega, 6(7), pp.4816-4830. https://pubs.acs.org/doi/10.1021/acsomega.0c05793
Al-Wahaibi, L.H., Bysani, S.R.S., Tawfik, S.S., Abdelbaky, M.S., Garcia-Granda, S., El-Emam, A.A., Percino, M.J. and Thamotharan, S., 2021. Invariant and Variable Supramolecular Self-Assembly in 6-Substituted Uracil Derivatives: Insights from X-ray Structures and Quantum Chemical Study. Crystal Growth & Design, 21(6), pp.3234-3250.https://pubs.acs.org/doi/10.1021/acs.cgd.0c01583
Mansour, B., Henen, M.A., Bayoumi, W.A., El-Sayed, M.A. and Massoud, M.A., 2021. In colorectal cancer; NMR-monitored β-Catenin inhibition by a Quinoline derivative using Water-LOGSY technique. Journal of Molecular Structure, 1246, p.131151. https://doi.org/10.1016/j.molstruc.2021.131151
Al-Wahaibi, L.H., Bysani, S.R.S., Tawfik, S.S., Abdelbaky, M.S., Garcia-Granda, S., El-Emam, A.A., Percino, M.J. and Thamotharan, S., 2021. Invariant and Variable Supramolecular Self-Assembly in 6-Substituted Uracil Derivatives: Insights from X-ray Structures and Quantum Chemical Study. Crystal Growth & Design, 21(6), pp.3234-3250.https://pubs.acs.org/doi/10.1021/acs.cgd.0c01583