Selected Publications
2023
Waleed A. Badawi, Mahmoud Rashed, Alessio Nocentini, Alessandro Bonardi, Mohammad M. Abd-Alhaseeb, Sara T. Al-Rashood,Giri Babu Veerakanellore, Taghreed A. Majrashi, Eslam B. Elkaeed, Bahaa Elgendy, Paola Gratter, Claudiu T. Supuran, Wagdy M. Eldehna, Mohamed Elagawany. Identification of new 4-(6-oxopyridazin-1-yl)benzenesulfonamides as multi-target anti-inflammatory agents targeting carbonic anhydrase, COX-2 and 5-LOX enzymes: synthesis, biological evaluations and modelling insights. Journal of Enzyme Inhibition and Medicinal Chemistry 38 (1), 2201407
S Makhija, JD Griffett, GB Veerakanellore, TP Burris, B Elgendy, K Griffett REV-ERB activation as a novel pharmacological approach for treating inflammatory pain. Frontiers in pharmacology 14, 1171931
Cyrielle Billon, Sadichha Sitaula, Subhashis Banerjee, Ryan Welch, Bahaa Elgendy, Lamees Hegazy, Tae Gyu Oh, Melissa Kazantzis, Arindam Chatterjee, John Chrivia, Matthew E Hayes, Weiyi Xu, Angelica Hamilton, Janice M Huss, Lilei Zhang, John K Walker, Michael Downes, Ronald M Evans, Thomas P Burris.Synthetic ERRα/β/γ Agonist Induces an ERRα-Dependent Acute Aerobic Exercise Response and Enhances Exercise Capacity. ACS Chemical Biology 18 (4), 756-771
Mahmoud A. Ragab, Wagdy M. Eldehna, Alessio Nocentini, Alessandro Bonardi, Hazem E. Okda, Bahaa Elgendy, Tarek S. Ibrahim, Mohammad M. Abd-Alhaseeb, Paola Gratteri, Claudiu T. Supuran, Ahmed A. Al-Karmalawy, Mohamed Elagawany 4-(5-Amino-pyrazol-1-yl)benzenesulfonamide derivatives as novel multi-target anti-inflammatory agents endowed with inhibitory activity against COX-2, 5-LOX and carbonic anhydrase: Design, synthesis, and biological assessments. European Journal of Medicinal Chemistry 250, 115180
2022
Meghan H Murray, Aurore Cecile Valfort, Thomas Koelblen, Céline Ronin, Fabrice Ciesielski, Arindam Chatterjee, Giri Babu Veerakanellore, Bahaa Elgendy, John K Walker, Lamees Hegazy, Thomas P Burris. Structural basis of synthetic agonist activation of the nuclear receptor REV-ERB. Nature Communications 13 (1), 7131
Mohamed Elagawany, Ayman Abo Elmaaty, Ahmed Mostafa, Noura M Abo Shama, Eman Y Santali, Bahaa Elgendy, Ahmed A Al-Karmalawy. Ligand-based design, synthesis, computational insights, and in vitro studies of novel N-(5-Nitrothiazol-2-yl)-carboxamido derivatives as potent inhibitors of SARS-CoV-2 main protease. Journal of Enzyme Inhibition and Medicinal Chemistry 37 (1), 2112-2132
Kristine Griffett, Matthew Hayes, Gonzalo Bedia-Diaz, Kevin Appourchaux, Ryan Sanders, Michael P Boeckman, Thomas Koelblen, Jinsong Zhang, Ira G Schulman, Bahaa Elgendy, Thomas P Burris. Antihyperlipidemic Activity of Gut-Restricted LXR Inverse Agonists. ACS Chemical Biology 17 (5), 1143-1154
Ryan D Welch, Cyrielle Billon, McKenna Losby, Gonzalo Bedia-Diaz, Yuanying Fang, Amer Avdagic, Bahaa Elgendy, Thomas P Burris, Kristine Griffett. Emerging Role of Nuclear Receptors for the Treatment of NAFLD and NASH. Metabolites 17 (5), 1143-1154
Lamees Hegazy, Lauren E Gill, Kelly D Pyles, Christopher Kaiho, Sophia Kchouk, Brian N Finck, Kyle S McCommis, Bahaa Elgendy. Identification of Novel Mitochondrial Pyruvate Carrier Inhibitors by Homology Modeling and Pharmacophore-Based Virtual Screening. Biomedicines 110 (2), 365
Wesley T Hodges, Chaowapong Jarasvaraparn, Daniel Ferguson, Kristine Griffett, Lauren E Gill, Yana Chen, Ma Xenia G Ilagan, Lamees Hegazy, Bahaa Elgendy, Kevin Cho, Gary J Patti, Kyle S McCommis, Brian N Finck. Mitochondrial pyruvate carrier inhibitors improve metabolic parameters in diet-induced obese mice. Journal of Biological Chemistry 298 (2)
Mahmoud A Ragab, Mohamed Elagawany, Hoda Daabees, Al-Shaimaa F Ahmed, Eman M Awad, Cyrielle Billon, Bahaa Elgendy, Khaled AM Abouzid, Shaymaa E Kassab. Structure-based design and synthesis of conformationally constrained derivatives of methyl-piperidinopyrazole (MPP) with estrogen receptor (ER) antagonist activity. Bioorganic Chemistry 119, 105554
Bahaa Elgendy, Kristine Griffett, Lamees Hegazy, Paolo Di Fruscia, Kirby Sample, Emmalie Schoepke, Theodore M Kamenecka, Thomas P Burris.
Synthesis and structure activity relationship of the first class of LXR inverse agonists. Bioorganic Chemistry119, 105540
Elizabeth Geerling, Valerie Murphy, E Taylor Stone, Andreu Gazquez Casals, Mariah A Hassert, Austin T O'Dea, Feng Cao, Maureen J Donlin, Bahaa El-Dien M Elgendy, Mohamed Elagawany, Vasiliki Pardali, Erofili Giannakopoulou, Grigoris Zoidis, Daniel V Schiavone, Alex J Berkowitz, Nana B Agyemang, Ryan P Murelli, John E Tavis, Amelia K Pinto, James DD Brien. Metal Coordinating Inhibitors of Rift Valley Fever virus Replication. bioRxiv 2022/1/1
Cyrielle Billon, Subhashis Banerjee, Sadichha Situala, Ryan Welch, Lamees Hegazy, Bahaa Elgendy, Tae Gyu Oh, Melissa Kazantzis, Arindam Chatterjee, John Chrivia, Matthew Hayes, Weiyi Xu, Angela Hamilton, Jan Huss, Lilei Zhang, John K Walker, Michael Downes, Ronald Evans, Thomas Burris. A Synthetic ERRα Agonist Induces an Acute Aerobic Exercise Response and Enhances Exercise Capacity
bioRxiv , 2022.10. 05.510974
Magy Gouda, Majed Bawzeer, Lamees Hegazy, Mohamed Azab, Mohamed Elagawany, Mostafa Rateb, Mohammed Yaseen, Bahaa Elgendy.
Design, Synthesis and Antitumor Activity of Novel Dispiro [oxindole-cyclohexanone]-pyrrolidines.Current Pharmaceutical Design28 (3), 198-207
2021
Yuanying Fang, Lamees Hegazy, Brian N Finck, Bahaa Elgendy.
Recent Advances in the Medicinal Chemistry of Farnesoid X Receptor. Journal of Medicinal Chemistry 64 (24), 17545-17571
Bathini Thissera, Irene Hallyburton, Che Julius Ngwa, Hafsa Cherif-Silini, Ahmed SI Hassane, Mark Anderson, Lorna A Campbell, Nicole Mutter, Manal Eshelli, Usama R Abdelmohsen, Mohammed Yaseen, Gabriele Pradel, Lassaad Belbahri, Bahaa Elgendy, Lamees Hegazy, Mostafa E Rateb.
Potent antiplasmodial alkaloids from the rhizobacterium Pantoea agglomerans as hemozoin modulators. Bioorganic chemistry 115, 105215
A Valfort, TP Burris, Bahaa Elgendy.
Distinct REV-ERBα Conformational State Predicted by GaMD Simulations Leads to the Structure-Based Discovery of Novel REV-ERBα Antagonist. bioRxiv 27 May 2021
M. Elagawany, L. Maram, B.Elgendy.
Novel synthesis of benzotriazolyl alkyl esters: an unprecedented CH2 insertion. RSC Advances 11 (13), 7564-7569
SS Goher, B.Elgendy.
Structure-based design of estrogen-related receptors modulators. Nuclear Receptors 79-109
Lamees Hegazy, Aurore-Cecile Valfort, Thomas P Burris, B.Elgendy.
Distinct REV-ERBα Conformational State Predicted by GaMD Simulations Leads to the Structure-Based Discovery of Novel REV-ERBα Antagonist. bioRxiv 2021/1/1
2020
Tarek S Ibrahim, Mohamed M Hawwas, Ehab S Taher, Nabil A Alhakamy, Mohamed A Alfaleh, Mohamed Elagawany, Bahaa Elgendy, Gamal M Zayed, Mamdouh FA Mohamed, Zakaria K Abdel-Samii, Yaseen AMM Elshaier. Design and synthesis of novel pyrazolo [3, 4-d] pyrimidin-4-one bearing quinoline scaffold as potent dual PDE5 inhibitors and apoptotic inducers for cancer therapy. Bioorg. Chem., 2020,105, 104352
Kristine Griffett, Gonzalo Bedia-Diaz, Bahaa Elgendy, Thomas P Burris. REV-ERB agonism improves liver pathology in a mouse model of NASH. PLoS ONE 2020, 15(10): e0236000. https://doi.org/10.1371/journal.pone.0236000.
Wessam S Abdrabo, Bahaa Elgendy,* Kamal A Soliman, Hany M Abd El-Lateef, Ahmed H Tantawy. Synthesis, assessment and corrosion protection investigations of some novel peptidomimetic cationic surfactants: Empirical and theoretical insights. J. Mol. Liq. 2020, 315, 113672.
Mohamed Shahien, Mohamed Elagawany, Sadichha Sitaula, Shaimaa S Goher, Sheryl L Burris, Ryan Sanders, Amer Avdagic, Cyrielle Billon, Lamees Hegazy, Thomas P Burris, Bahaa Elgendy*. Modulation of estrogen-related receptors subtype selectivity: Conversion of an ERRβ/γ selective agonist to ERRα/β/γ pan agonists. Bioorg. Chem., 2020,102, 104079.
Elzahhar, P. A.; Abd El Wahab, S. M.; Elagawany, M.; Daabees, H.; Belal, A.; EL-Yazbi, A.; Eid, A.; Alaaeddine, R.; Hegazy, R.; Allam, R.; Helmy, M.; Elgendy, B.; Angeli, A.; El-Hawash, S.; Supuran, C. T. Expanding the anticancer potential of 1,2,3-triazoles via simultaneously targeting Cyclooxygenase-2, 15-lipoxygenase and tumor-associated carbonic anhydrases. Eur. J. Med. Chem. 2020, 200, 112439.
Cao, F.; Tavis, J. E.; Donlin, M. J.; Meyers, M. J.; Murelli, R. P.; Cari, O.; Elgendy, B. Inhibitors of nucleotidyltransferase superfamily enzymes as antibiotics. US Patent App. 16/614,335.
Ibrahim, T. S.; Salem, I. M.; Mostafa, S. M.; El-Sabbagh, O. I.; ElKhamisi, M. K.; Hegazy, L.; Elgendy, B*. Design, synthesis, and pharmacological evaluation of novel and selective COX-2 inhibitors based on bumetanide scaffold. Bioorg. Chem., 2020, 100, 103878.
Saeed, W.; Elagawany, M.; Azab, M. M.; Amin, A. S.; Rath, N. P.; Hegazy, L.; Elgendy, B*. Catalyst-and organic solvent-free synthesis, structural, and theoretical studies of 1-arylidenamino-2,4-disubstituted-2-imidazoline-5-ones. Results in Chemistry 2020, 2, 100042.
2019
Elagawany, M.; Hegazy, L.; Elgendy, B*. Catalyst- and Organic Solvent-Free Synthesis of Thioacids in Water. Tetrahedron Lett. 2019, 60, 2018-2021.
Elagawany, M.; Farid, N.F.; Elgendy, B.; Abdelmomen, E.H.; Abdelwahab, N.S. Baclofen Impurities: Facile Synthesis and Novel Environmentally Benign Chromatographic Method for their Simultaneous Determination in Baclofen. Biomed. Chromatogr. 2019, e4579.
Goher, S.S.; Griffett, K.; Hegazy, L.; Elagawany, M.; Arief, M.M.H.; Avdagic, A.; Banerjee, S.; Burris, T.P.; Elgendy, B*. Development of novel liver X receptor modulators based on a 1,2,4-triazole scaffold. Bioorg. Med. Chem. Lett., 2019, 29 (3), 449-453.
2018
Elgendy, B.*; Goher, S.S.; Hegazy, L.; Arief, M. M. H.; Burris, T.P. Recent Advances in the Medicinal Chemistry of Liver X Receptors. J. Med. Chem., 2018, 61 (24), 10935-10956.
Cao, F.; Orth, C.; Donlin, M.J.; Adegboyega, P.; Meyers, M.J.; Murelli, R.P.; Elagawany, M.; Elgendy, B.; Tavis, J. Synthesis and evaluation of troponoids as a new class of antibiotics. ACS Omega, 2018, 3 (11), 15125-15133.
Elagawany, M.; Hegazy, L.; Cao, F.; Donlin, M.J.; Rath, N.; Tavis, J.; Elgendy, B*. Identification of 4-isopropyl–thiotropolone as a novel anti-microbial: regioselective synthesis, NMR characterization, and biological evaluation. RSC Advances, 2018, 8 (52), 29967-29975.
El-Sayed, S.; Ali, M.; Elgendy, B.; Dandash, S.; Issac, Y.; Saad, R.; Azab, M.; Mohamed, M. Identification of novel small molecule inhibitors against the NS3/4A protease of hepatitis C virus genotype 4a. Curr. Pharm. Des., 2018, 24 (37), 4484-4491.
2016
Eno, M.; Elgendy, B.; Cameron, M. P450 3A Catalyzed O-dealkylation of Lapatinib Induces Mitochondrial Stress and Activates Nrf2. Chem. Res. Toxicol. 2016, 29, 784−796.
Mabied, A.F.; Girgis, A.S.; Shalaby, E.M.; George, R.F.; Elgendy, B.; Baseliouse, F.N. Stereoselective Synthesis, Structural and Spectroscopic Study of 4,5,11-Triazatricyclo[6.2.1.0*2,6*]Undec-5-ene. J. Heterocyclic Chem., 2016, 53, 1074-1080.
2015
Abd El-Lateef, H.M.; Abu-Dief, A.M.; Elgendy, B. Investigation of adsorption and inhibition effects of some novel anil compounds towards mild steel in H2SO4 solution: Electrochemical and theoretical quantum studies. J. Electroanal. Chem. 2015, 758, 135-147.
Flaveny, C.A.; Griffett, K.; Elgendy, B.; Kazantzis, M. Sengupta, M.; Amelio, A.L.; Chatterjee, A.; Walker, J.; Solt, L.A.; Kamenecka, T.M.; Burris, T.P. Broad Anti-Tumor Activity of a Small Molecule that Selectively Targets the Warburg Effect and Lipogenesis. Cancer Cell, 2015, 28 (1), 42-56.
El-Gendy, B.; Rateb, M.E. Antibacterial Activity of Diketopiperazines Isolated from a Marine Fungus using t-Butoxycarbonyl Group as a Simple Tool for Purification. Bioorg. Med. Chem. Lett., 2015, 25 (16), 3125-3128.
2014
Banerjee S.; Wang, Y.; Solt, L.A.; Griffett, K.; Kazantzis, M.; Amador A.; Elgendy, B.; Huitron-Resendiz, S.; Roberts A.J.; Shin, Y.; Kamenecka T.M.; Burris, T.P. Pharmacological targeting of the mammalian clock regulates sleep architecture and emotional behavior. Nat. Commun. 2014, Dec 23; 5:5759. doi: 10.1038/ncomms6759.
Belal, A.; Elgendy, B*. Pyrrolizines: Promising Scaffolds for Anticancer Drugs. Bioorg. Med. Chem., 2014, 22, 46–53.
Shalaby, E.M.; Girgis, A.S.; Moustafa, A.M.; ElShaabiny, A.M.; Elgendy, B.; Mabied, A.F.; Farag, I.S. A. Regioselective Synthesis, Stereochemical Structure, Spectroscopic Characterization and Geometry Optimization of Dispiro[3H-Indole-3,2′-Pyrrolidine-3′,3′′-Piperidines]. J. Mol. Struct., 2014, 1075, 327–334.
2013
Elgendy, B.; Ghazvini Zadeh, E.H.; Sotuyo, A.C.; Pillai, G.G.; Katritzky, A.R. α-Substitution Effects on the Ease of S → N-Acyl Transfer in Aminothioesters. Chem. Biol. Drug Des., 2013, 81 (5), 577–582.
Griffett, K.; Solt, L.A.; Elgendy, B.; Kamenecka, T.M.; Burris, T.P. A Liver Selective LXR Inverse Agonist that Suppresses Hepatic Steatosis. ACS Chem. Biol., 2013, 8 (3), 559–567.
Khan, P.M.; Elgendy, B.; Kumar, N.; Chang, M.R.; Lin, L.; Ruiz, C.H.; Cameron, M.D.; Griffin, P.R.; Kamenecka, T.M. Small Molecule Amides as Potent ROR-γ Selective Modulators. Bioorg. Med. Chem. Lett., 2013, 23, 532-536.
2012
Draghici, B.; Elgendy, B.; Katritzky, A.R. Synthesis of Benzoxazines, Quinazolines and 4H-Benzo[e][1,3]thiazine by ANRORC Rearrangements of 1,2,4-Oxadiazoles. Synthesis, 2012, 44, 547–550.
Ghazvini Zadeh, E.H.; Elgendy, B.; Pop, A.G.; Katritzky, A.R. Synthesis of chiral α-amino acid-derived 1H-1,2,4-triazoles and 1,2,4-triazines. Med. Chem. Commun., 2012, 3, 52-55.
2011
Hall, A.C.; Griffith, T.N.; Tsikolia, M..; Kotey, F.O.; Gill, N.; Humbert, D.J.; Watt, E.E.; Yermolina, Y.A.; Goel, S.; Elgendy, B.; Hall, C.D. Cyclohexanol Analogues are Positive Modulators of GABAA Receptor Currents and Act as General Anaesthetics in Vivo. Eur. J. Pharmacol. 2011, 667, 175–181.
Draghici, B.; Hansen F.K.; Buciumas, A.; Elgendy, B.; Todadze, E.; Katritzky, A.R. Efficient Microwave-Assisted Synthesis of Aminoxy Acid Conjugates from Cbz-Protected (α-Aminoxyacyl)benzotriazoles. RSC Advances, 2011, 1, 602–606.
Katritzky, A.R.; Yoshioka-Tarver, M.; Elgendy, B.; Hall, C.D. Synthesis and Photochemistry of pH-Sensitive GFP Chromophore Analogues. Tetrahedron Lett. 2011, 52, 2224-2227.
2010
Katritzky, A.R.; Elgendy, B.; Draghici, B.; Hall, C.D. NMR Study of the Tautomeric Behaviour of N-(α-Aminoalkyl)tetrazoles. J. Org. Chem. 2010, 75(19), 6468-6476.
Ghiviriga, I.; Elgendy, B.; Martinez, H.; Fedoseyenko, D.; Metais, E.P.; Fadli, A.; Katritzky, A.R. Conformational equilibria and barriers to rotation in some novel nitroso derivatives of indolizines and 3- and 5-azaindolizines - an NMR and molecular modeling study. Org. Biomol. Chem. 2010, 8(15), 3518-3527.
Katritzky, A.R.; Hall, C.D.; Elgendy, B.; Draghici, B. Tautomerism in Drug Discovery. J. Comput. Aided Mol. Des. 2010, 24, 475-484.
Katritzky, A.R.; Elgendy, B.; Draghici, B.; Fedoseyenko, D.; Fadli, A.; Metais, E. 1H, 13C, and 15N NMR Spectra of Some Pyridazine Derivatives. Magn. Reson. Chem. 2010, 48(5), 397-402.
2009
Ghiviriga, I.; Elgendy, B.; Steel, P.J.; Katritzky, A.R. Tautomerism of guanidines studied by 15N NMR: 2-hydrazono-3-phenylquinazolin-4(3H)-ones and related compounds. Org. Biomol. Chem. 2009, 7(19), 4110-4119.
Katritzky, A.R.; Tala, S.R.; Abo-Dya, N.E.; Gyanda, K.; Elgendy, Bahaa; Abdel-Samii, Z.K.; Steel, P.J. Selective synthesis and structural elucidation of S-acyl- and N-acylcysteines. J. Org. Chem. 2009, 74(18), 7165-7167.
2008
Katritzky, A.R.; Elgendy, B.; Todadze, E.; Abdel-Fattah, A.A.A. (α -Aminoacyl)amino-substituted heterocycles and related compounds. J. Org. Chem. 2008, 73(14), 5442-5445.
2007
Katritzky, A.R.; Abdel-Fattah, A.A.A.; Idzik, K.R.; Elgendy, B.; Soloducho, J. Benzotriazole-mediated alkoxyalkylation and acyloxyalkylation. Tetrahedron 2007, 63(28), 6477-6484.
