Noura H. Abou-Taleb*, Dina T. El-Sherbiny, Nahed M. El-Enany, and Hussein I. El-Subbagh. A new grey relational analysis application in analytical chemistry: Natural deep eutectic solvent as a green extractant for HPLC determination of lamotrigine in plasma. Microchemical Journal 2022, 172, 106918.

https://doi.org/10.1016/J.MICROC.2021.106918

Amal A. El-Masry, Dalia R. El-Wasseef, Manal Eid, Ihsan A. Shehata, and Abdallah M. Zeid. Development of three ecological spectroscopic methods for analysis of betrixaban either alone or in mixture with lercanidipine: greenness assessment. Royal Society Open Science 2022, 9(2), 211457–211457. https://doi.org/10.1098/RSOS.211457

Abdelgawad, Mohamed A., Mohammad M. Al-Sanea, Arafa Musa, Mohammed Elmowafy, Ashraf K. El-Damasy, Amany A. Azouz, Mohammed M. Ghoneim, and Rania B. Bakr. Docking Study, Synthesis, and Anti-Inflammatory Potential of Some New Pyridopyrimidine-Derived Compounds. Journal of Inflammation Research 2022, 15, 451. https://doi.org/10.2147/JIR.S343263

Somaya Abdelrahman, and Moustafa T. Gabr. Emerging small-molecule therapeutic approaches for Alzheimer’s disease and Parkinson’s disease based on targeting microRNAs. Neural Regeneration Research 2022, 17(2), 336–337. https://doi.org/10.4103/1673-5374.317977

Lamya H. Al-Wahaibi, Mary Y. Sheena, Mary Y. Shyma, Aamal A. Al-Mutairi, Hanan M. Hassan, Ali A. El-Emam, and Rohitash Yadav. Investigation of the electronic properties of solvents (water, benzene, methanol) using IEFPCM model, spectroscopic investigation with docking and MD simulations of a thiadiazole derivative with anti-tumor activities. Journal of Molecular Liquids 2022, 348, 118061. https://doi.org/10.1016/J.MOLLIQ.2021.118061

Eslam M. H. Ali, Karim I. Mersal, Usama M. Ammar, Seyed O. Zaraei, Mohammed S. Abdel-Maksoud, Mohammed I. El-Gamal, Md M. Haque, Tanuza Das, Eunice E. K. Kim, Jun S. Lee, Kwan H. Lee, Hee K. Kim, and Chang H. Oh. Structural optimization of 4-(imidazol-5-yl) pyridine derivatives affords broad-spectrum anticancer agents with selective B-RAFV600E/p38α kinase inhibitory activity: Synthesis, in vitro assays and in silico study. European Journal of Pharmaceutical Sciences 2022, 171, 106115. https://doi.org/10.1016/J.EJPS.2022.106115

Yasmeen T. AlNajjar, Moustafa T. Gabr, Ahmed K. ElHady, Mohamed Salah, Gerrit Wilms, Ashraf H. Abadi, Walter Becker, Mohammad Abdel-Halim, and Matthias Engel. Discovery of novel 6-hydroxybenzothiazole urea derivatives as dual Dyrk1A/α-synuclein aggregation inhibitors with neuroprotective effects. European Journal of Medicinal Chemistry 2022, 227, 113911. https://doi.org/10.1016/J.EJMECH.2021.113911

Sara A. Darwish, Mohamed M. El-Kerdawy, Ahmad R. Elsheakh, Rehab S. Abdelrahman, Moataz A. Shaldam, Hatem A. Abdel-Aziz, Ghada S. Hassan, and Mariam A. Ghaly. New tilomisole-based benzimidazothiazole derivatives as anti-inflammatory agents: Synthesis, in vivo, in vitro evaluation, and in silico studies. Bioorganic Chemistry 2022, 120, 105644. https://doi.org/10.1016/J.BIOORG.2022.105644

Mohammed I. El‐gamal, Seyed O. Zaraei, Moustafa M. Madkour, and Hanan S. Anbar. Evaluation of Substituted Pyrazole-Based Kinase Inhibitors in One Decade (2011-2020): Current Status and Future Prospects. Molecules 2022, 27(1). https://doi.org/10.3390/MOLECULES27010330

Khalid Karrouchi, Saad Fettach, Ömer Tamer, Davut Avci, Adil Başoğlu, Yusuf Atalay, Zeynep Ayaz, Smaail Radi, Hazem A. Ghabbour, Yahia N. Mabkhot, My E. Faouzi, and M’hammed Ansar. Synthesis, crystal structure, spectroscopic characterization, α-glucosidase inhibition and computational studies of (E)-5-methyl-N′-(pyridin-2-ylmethylene)-1H-pyrazole-3-carbohydrazide. Journal of Molecular Structure 2022, 1248, 131506. https://doi.org/10.1016/J.MOLSTRUC.2021.131506

Karrouchi, Khalid, Saad Fettach, Ömer Tamer, Davut Avcı, Adil Başoğlu, Yusuf Atalay, Smaail Radi, Hazem A. Ghabbour, Yahia N. Mabkhot, My E. Faouzi, and M’hammed Ansar. Experimental and Computational Interaction Studies of (E)-N’-Benzylidene-5-Methyl-1H-Pyrazole-3-Carbohydrazide with α-Glucosidase and α-Amylase Enzymes: A Detailed Structural, Spectroscopic, and Biophysical Study. Polycyclic Aromatic Compounds 2022, 1–21. https://doi.org/10.1080/10406638.2022.2036774

Sumera, M. T. Y. Zaib, Seyed O. Zaraei, Imtiaz Khan, Hanan S. Anbar, and Mohammed I. El-Gamal. Discovery of urease inhibitory effect of sulfamate derivatives: Biological and computational studies. Bioorganic Chemistry 2022, 119, 105545. https://doi.org/10.1016/J.BIOORG.2021.105545

 Publications

Feb. 2022

Mary K. Wahba & Dina T. El Sherbiny. Applicability of hybrid micelle liquid chromatography for practical determination of acid dissociation constant. Journal of Taibah University for Science2022, 16 (1), 98-103. https://doi.org/10.1080/16583655.2022.2031569

Lamya H. Al-Wahaibi, Mohnad Abdalla, Y. Sheena Mary, Y. Shyma Mary, Renyer Alves Costa, Meenakshi Rana, Ali A. El-Emam, Hanan M. Hassan & Nora H. Al-Shaalan. Spectroscopic, Solvation Effects and MD Simulation of an Adamantane-Carbohydrazide Derivative, a Potential Antiviral Agent. Polycyclic Aromatic Compounds https://doi.org/10.1080/10406638.2022.2039233

Lamya H. Al-Wahaibi, Karthick Vishal Asokan, Nora H. Al-Shaalan, Samar S. Tawfik, Hanan M. Hassan, Ali A. El-Emam, M. Judith Percino, and Subbiah Thamotharan. Supramolecular self-assembly mediated by multiple hydrogen bonds and the importance of C–S···N chalcogen bonds in N′-(adamantan-2-ylidene)hydrazide derivatives. ACS Omega2022, 7 (12), 10608-10621. https://doi.org/10.1021/acsomega.2c00159

Fatmah A.M. Al-Omary, Nikhila C. Gude, Lamees S. Al-Rasheed, Hamad N. Alkahtani, Hanan M. Hassan, Ebtehal S. Al-Abdullah, Ali A. El-Emam, M Judith Percino, Subbiah Thamotharan. X-ray and theoretical investigation of (Z)-3-(adamantan-1-yl)-1-(phenyl or 3-chlorophenyl)-S-(4-bromobenzyl)isothioureas: an exploration involving weak non-covalent interactions, chemotherapeutic activities and QM/MM binding energy.‏ Journal of Biomolecular Structure and Dynamics 2022, 40 (6), 2530-2545. https://doi.org/10.1080/07391102.2020.1840443

Lamya H. Al-Wahaibi, Hazem A. Ghabbour, Fatmah A. M. Al-Omary, Edward R. T. Tiekink and Ali A. El-Emam. Crystal structure of 5-(adamantan-1-yl)-3-[(4-trifluoromethylanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C₂₀H₂₂F₃N₃  Zeitschrift für Kristallographie - New Crystal Structures 2022. https://doi.org/10.1515/ncrs-2022-0144

Mohammed I. El-Gamal. Novel conformationally-restricted analogues of sorafenib and regorafenib as selective kinase inhibitors for cancer treatment. (Patent No. US20220033375A1), 2022. https://patentcenter.uspto.gov/#!/applications/16945039

Seyed O. Zaraei, Nour N. Al-Ach, Hanan S. Anbar, Randa El-Gamal, Hamadeh Tarazi, Rimas T. Tokatly, Rawan R. Kalla, Mouna A. Munther, Marwa M. Wahba, Aya M. Alshihabi, Mahmoud K. Shehata, Rawan M. Sbenati, Afnan I. Shahin, Raafat El-Awady, Taleb H. Al-Tel, Mohammed I. El-Gamal. Design and synthesis of new quinoline derivatives as selective C-RAF kinase inhibitors with potent anticancer activity. European Journal of Medicinal Chemistry 2022, 238, 114434. https://doi.org/10.1016/j.ejmech.2022.114434

Sumera Zaib, Imtiaz Khan, Hanan S. Anbar, Seyed O. Zaraei, Rawan M. Sbenati, Hafiza T. Maryam, Hamid S. Shah, Mohammed I. El-Gamal. Evaluation of indole-picolinamide hybrid molecules as carbonic anhydrase-II inhibitors: Biological and computational studies. Journal of Molecular Structure 2022, 1262, 133048. https://doi.org/10.1016/j.molstruc.2022.133048

Atallah F. Ahmed, Zhi-Hong Wen, Ahmed H. Bakheit, Omer A. Basudan, Hazem A. Ghabbour, Abdullah Al-Ahmari, Chien-Wei Feng. A Major Diplotaxis harra-Derived Bioflavonoid Glycoside as a Protective Agent against Chemically Induced Neurotoxicity and Parkinson’s Models; In Silico Target Prediction; and Biphasic HPTLC-Based Quantification. Plants2022, 11(5), 648. https://doi.org/10.3390/plants11050648

Hazem A. Ghabbour, Asmaa M. Fahim, Mohammed A. Abu El-Enin, Sara T. Al-Rashood & Hatem A. Abdel-Aziz. Crystal structure, Hirshfeld surface analysis and computational study of three 2-(4-arylthiazol-2-yl)isoindoline-1,3-dione derivatives. Molecular Crystals and Liquid Crystals https://doi.org/10.1080/15421406.2022.2045794

Hazem A. Ghabbour, Ahmed H. Bakheit, Essam Ezzeldin, Gamal A.E. Mostafa. Synthesis Characterization and X-ray Structure of 2-(2,6-Dichlorophenylamino)-2-imidazoline Tetraphenylborate: Computational Study. Sci.2022, 12(7), 3568. https://doi.org/10.3390/app12073568

Ahmed M. El-Agrody, Ahmed M. Fouda, Hany M. Mohamed, Mohammed Y. Alshahrani, Hazem A. Ghabbour, Abd El-Galil E. Amr, Rawda M. Okasha, Ahmed M. Naglah, Abdulrahman A. Almehizia, Ahmed A. Elhenawy. The Crystal Structure of 2-Amino-4-(2, 3-Dichlorophenyl)-6-Methoxy-4H-Benzo [h] chromene-3-Carbonitrile: Antitumor and Tyrosine Kinase Receptor Inhibition Mechanism Studies. Crystals2022, 12(5), 737; https://doi.org/10.3390/cryst12050737

Asmaa M. Fahim, Hazem A. Ghabbour, Maha M. Kabil, Sara T. Al-Rashood, Hatem A. Abdel-Aziz. Synthesis, X-ray crystal structure, Hirshfeld analysis and computational investigation of bis (methylthio) acrylonitrile with antimicrobial and docking evaluation. Journal of Molecular Structure 2022, 1260, 132793. https://doi.org/10.1016/j.molstruc.2022.132793

HKA El-Mawgoud, HAM Radwan, Ahmed M. Fouda, F El-Mariah, Ahmed A. Elhenawy, AE Amr, Abdulrahman A Almehizia, Hazem A. Ghabbour, AM El-Agrody.
Synthesis, cytotoxic activity, crystal structure, DFT, molecular docking study of some heterocyclic compounds incorporating benzo [f] chromene moieties. Journal of Molecular Structure 2022, 1260, 132829. https://doi.org/10.1016/j.molstruc.2022.132829

Omnia M. Waly, Kareem M. Saad, Hussein I. El-Subbagh, Said M. Bayomi,  Mariam A. Ghaly. Synthesis, biological evaluation, and molecular modeling simulations of new heterocyclic hybrids as multi-targeted anti-Alzheimer's agents. European Journal of Medicinal Chemistry 2022, 231, 114152. https://doi.org/10.1016/j.ejmech.2022.114152

Reham W. Elsayed, Mohamed A. Sabry, Hussein I. El-Subbagh, Said M. Bayoumi, Selwan M. El-Sayed. Thiazole-based SARS-CoV-2 protease (COV Mpro) inhibitors: Design, synthesis, enzyme inhibition, and molecular modeling simulations. Arch Pharm (Weinheim) 2022, 2200121.  https://doi.org/10.1002/ardp.202200121

Mohammed A. Abu El-Enin, Eman M. Rabie Shehab El-Din, Heba Wagih Abdelwahab, Amina Abd El-Maksoud, Abeer M. Abd El-Aziz, Mona I. Shaaban, Ahmed Nader Attia, Wafaa A. Aboukamar, Sanaa Mohei-Aldin, Fathalla Belal. Preparation of chemically stable allergen-specific sublingual immunotherapy from Egyptian allergens. Journal of Clinical Laboratory Analysis 2022, 36 (3), e24261. https://doi.org/10.1002/jcla.24261

Abdelrahman Hamdi, Hamed W. El-Shafey, Dina I. A. Othman, Adel S. El-Azab, Nawaf A. Al Saif , Alaa A. M. Abdel-Aziz. Design, synthesis, antitumor and VEGFR-2 inhibition activities of novel 4-anilino-2-vinyl-quinazolines: Molecular modeling studies. Bioorganic Chemistry 2022, 122, 105710. https://doi.org/10.1016/j.bioorg.2022.105710

Seo-Yeon Kim, Ahmed H.E. Hassan, Kyung-Sook Chung, Su-Yeon Kim, Hee-Soo Han, Hwi-Ho Lee, Seang-Hwan Jung, Kwang-Young Lee, Ji-Sun Shin, Eungyeong Jang, Seolmin Yoon, Yong Sup Lee and Kyung-Tae Lee. Mosloflavone-Resveratrol Hybrid TMS-HDMF-5z Exhibits Potent in Vitro and In Vivo Anti-Inflammatory Effects Through NF-κB, AP-1, and JAK/STAT Inactivation. Frontiers in Pharmacology 2022, 1236. https://doi.org/10.3389/fphar.2022.857789

Ahmed H. E. Hassan, Hyeon Jeong Kim, Min Sung Gee, Jong-Hyun Park, Hye Rim Jeon, Cheol Jung Lee, Yeonwoo Choi, Suyeon Moon, Danbi Lee, Jong Kil Lee, Ki Duk Park &Yong Sup Lee. Positional scanning of natural product hispidol’s ring-B: discovery of highly selective human monoamine oxidase-B inhibitor analogues down regulating neuro inflammation for management of neurodegenerative diseases. Journal of Enzyme Inhibition and Medicinal Chemistry 2022, 37 (1), 768-780. https://doi.org/10.1080/14756366.2022.2036737

Mardia T. El Sayed, Marwa A. M.Sh.El-Sharief, Eman S. Zarie, Nesrin M.Morsy, Ahmed R.Elsheakh, Andrey Voronkov, Vladimir Berishvili, Ghada S.Hassan. Corrigendum to "Design, synthesis, anti-inflammatory activity and molecular docking of potential novel antipyrine and pyrazolone analogs as cyclooxygenase enzyme (COX) inhibitors" [Bioorgan. Med. Chem. Lett. 28(5) (2018) 952-957]. Med. Chem. Lett. 2022, 61,128626. https://doi.org/10.1016/j.bmcl.2022.128626