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