Projects & Publications

Title:Discovery of pyrimidoindol and benzylpyrrolyl inhibitors targeting SARS-CoV-2 main protease (Mpro) through pharmacophore modelling, covalent docking, and biological evaluation.

Authors: Mahgoub, R. E.; Mohamed, F. E.; Ali, B.R.; Ferreria, J.; Rabeh, W.M.; Atatreh, N.; Ghattas, M. A.

Journal: Journal of Molecular Graphics and Modelling 127(8):108672.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title:Novel compound heterozygous variants (c.971delA/c.542C > T) in SLC1A4 causes spastic tetraplegia, thin corpus callosum, and progressive microcephaly: a case report and mutational analysis.

Authors: Mohamed, F. E.; Ghattas, M. A.; Almansoori, T. M.; Tabouni, M.; Baydoun, I.; Kizhakkedath, P.; John, A.; Alblooshi, H.; Shaukat, Q.; Al-Jasmi, F.

Journal: Front Pediatr. 2023, 11: 1183574.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Using filters in virtual screening: A comprehensive guide to minimize errors and maximize efficiency.

Authors: Mahgoub, R. E., Atatreh, N., & Ghattas, M. A.

Journal: Annual Reports in Medicinal Chemistry (59), 2022.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: The Discovery of Small Allosteric and Active Site Inhibitors of the SARS-Cov-2 Main Protease via Structure-Based Virtual Screening and Biological Evaluation.

Authors: Mahgoub, R.E.; Mohamed, F.E.; Alzyoud, L.; Ali, B.R.; Ferreira, J.; Rabeh, W.M.; AlNeyadi, S.S.; Atatreh, N.; Ghattas, M.A.

Journal: Molecules 2022, 27, 6710.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Allosteric Binding Sites of the SARS-CoV-2 Main Protease: Potential Targets for Broad-Spectrum Anti-Coronavirus Agents.

Authors: Alzyoud L, Ghattas MA, Atatreh N.

Journal: Drug Des Devel Ther. 2022;16:2463-2478

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: The Discovery of Potent SHP2 Inhibitors with Anti-Proliferative Activity in Breast Cancer Cell Lines

Authors: Ghemrawi R, Khair M, Hasan S, Aldulaymi R, AlNeyadi SS, Atatreh N, Ghattas MA.

Journal: International journal of molecular sciences. 2022 Jan;23(8):4468.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Development of a novel filtered-based pharmacophore for the identification of human equilibrative nucleoside transporter 1 inhibitors.

Authors: Ramadan A, Hasan S, Jamal S, Moumen I, Atatreh N, Ghattas MA.

Journal: Jordan Journal of Pharmaceutical Sciences. 2021 Sep;14(3).

Title: Investigation of New Inhibitors of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) by Virtual Screening with Antibacterial Assessment.

Authors: Boulhissa I, Chikhi A, Bensegueni A, Ghattas MA, Mokrani EH, Alrawashdeh S, Obaid DE.

Journal: Current computer-aided drug design. 2021 Apr 1;17(2):214-24.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Allosteric Binding Sites of the SARS-CoV-2 Main Protease: Potential Targets for Broad-Spectrum Anti-Coronavirus Agents.

Authors: Alzyoud L, Ghattas MA, Atatreh N.

Journal: Drug Des Devel Ther. 2022;16:2463-2478

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Design, Synthesis, in Vitro Antibacterial Activity, and Docking Studies of New Rhodanine Derivatives.

Authors:Abusetta A, Alumairi J, Alkaabi MY, Al Ajeil R, Shkaidim AA, Akram D, Pajak J, Ghattas MA, Atatreh N, AlNeyadi SS.

Journal: Open Journal of Medicinal Chemistry. Mar 2020, 15-34.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Controlled Release of Pyrimidine Compound Using Polymeric Coated ZIF-8 Metal-Organic Framework as Glucagon-Like Peptide-1 Receptor Agonist Carrier.

Authors:AlNeyadi SS, Amir N, Ghattas MA, Atatreh N, Alketbi SS, Ajeil RA, Adem A.

Journal: Molecules. Jan 2020, 4313.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: A Novel Homozygous Missense Variant in the NAGA Gene with Extreme Intrafamilial Phenotypic Heterogeneity.

Authors:Mohamed FE, Al Sorkhy M, Ghattas MA, Al-Zaabi N, Al-Shamsi A, Almansoori TM, Al-Gazali L, Al-Dirbashi OY, Al-Jasmi F, Ali BR.

Journal:Journal of Molecular Neuroscience. 2020 Jan;70(1):45-55.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: The pharmacological chaperoneN-n-butyl-deoxygalactonojirimycin enhances β-galactosidase processing and activity in fibroblasts of a patient with infantile GM1-gangliosidosis.

Authors:Mohamed FE, Ghattas MA, Lihadh AG, Al-Dirbashi O, Al-Jasmi F, Ali BR.

Journal: Human genetics. 2020 May 1;139(5):657-73.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Discovery of new butyrylcholinesterase inhibitors via structure-based virtual screening.

Authors:Atatreh N, Al Rawashdah S, Al Neyadi Sh, Abuhamdah S, Ghattas MA,

Journal: Journal of Enzyme Inhibition and Medicinal Chemistry. July 2019, 1373-1379.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Anti-inflammatory drug approach: Synthesis and biological evaluation of novel pyrazolo[3,4-d]pyrimidine compounds.

Authors:Atatreh N,Youssef A, Ghattas MA, Al Sorkhy M, Al Rawashdah S, Al-Harbi Kh, El-Ashmawy I, Almundarij T, Abdelghani A, Abd-El-Aziz A,

Journal: Bioorganic Chemistry. May 2019, 393-400

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: A B3GALT6 variant in patient originally described as Al-Gazali syndrome and implicating the ER quality control in the mechanism of some β3GalT6-pathy mutations.

Authors:Ben-Mahmoud, A., Ben-Salem, S., Al-Sorkhy, M., John, A., Ali, B.R. and Al-Gazali, L.

Journal: Clin Genet. 2018 Feb 14.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title:Cortisol and breast cancer: Molecular and clinical prospective.

Authors:M. Al sorkhy, Zina Fahl and J Ritchie.

Journal: Annals of Cancer Research and Therapy. Vol. 26, No. 1, pp. 19-25, 2018.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Antibacterial activity and mechanism of action of the benzazole acrylonitrile-based compounds: In vitro, spectroscopic, and docking studies.

Authors: AlNeyadi SS, Salem AA, Ghattas MA, Atatreh N, Abdou IM.

Journal: European Journal of Medicinal Chemistry 2017, 136, 270–282.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: A denovo mutation in the X-linked PAK3 gene is the underlying cause of intellectual disability and macrocephaly in monozygotic twins.

Authors: Hertecant J, Komara M, Nagi A, Al-Zaabi O, Fathallah W, Cui H, Yang Y, Eng CM, Al Sorkhy M, Ghattas MA, Al-Gazali L, Ali BR.

Journal: European Journal of Medical Genetics, 2017.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: DESIGN, SYNTHESIS AND BIOLOGICAL SCREENING OF AMINOACETYLENIC TETRAHYDROPHTHALIMIDE ANALOGUES AS NOVEL CYCLOOXYGENASE (COX) INHIBITORS

Authors: Basim A, Muhi Eldeen ZA, Al-Kaissi EN, Suaifan G, Ghattas MA, Arafat T, Al-Adham IS.

Journal: Int J Pharm Pharm Sci, Vol 9, Issue 2, 160-165.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Antibacterial activity and mechanism of action of the benzazole acrylonitrile-based compounds: In vitro, spectroscopic, and docking studies.

Authors: AlNeyadi SS, Salem AA, Ghattas MA, Atatreh N, Abdou IM.

Journal: European Journal of Medicinal Chemistry 2017, 136, 270–282.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Glucosamine Enhances Paracetamol Bioavailability by Reducing Its Metabolism.

Authors: Qinna NA, Shubbar MH, Matalka KZ, Al‐Jbour N, Ghattas MA, Badwan AA.

Journal: Journal of Pharmaceutical Sciences. 104:257–265, 2015.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Synthesis of amino acetylenic benzophenone derivatives as H3-antagonists.

Authors: Al-Jomaily M, Arafat T, Al-Kaissi E, Ghattas MA, Muhi-Eldeen Z

Journal: International Journal of Pharmacy and Pharmaceutical Sciences. 7(6):174-179, 2015.

Title: Synthesis of 2-[{4-(t-amino-1-yl)but-2-yn-1-yl }oxy]-1,3-benzothiazole derivatives as H3-antagonists.

Authors: Al-Rahmani R, Al-kaissi E, Arafat T, Ghattas M, Muhi-eldeen Z.

Journal: IOSR Journal of Pharmacy. 2014; 4(9):40-49.

Title: Molecular Modelling Study and Antibacterial Evaluation of Diphenylmethane Derivatives as Potential FabI Inhibitors.

Authors: Hasan, S.; Kayed, K.; Ghemrawi, R.; Al Bataineh, N.; Mahgoub, R. E.; Audeh, R.; Aldulaymi, R.; Atatreh, N.; Ghattas, M. A.

Journal: Molecules 2023, 28(7), 3000.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Structure-based assessment and druggability classification of protein–protein interaction sites.

Authors: Alzyoud L, Bryce RA, Al Sorkhy M, Atatreh N, Ghattas MA.

Journal: Sci Rep 12, 7975 (2022).

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Computer-aided approaches reveal trihydroxychroman and pyrazolone derivatives as potential inhibitors of SARS-CoV-2 virus main protease.

Authors: Atatreh N, Hasan S, Ali BR, Ghattas MA.

Journal: Acta Pharmaceutica. Jan 2021, 325-33.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: How Do Small Molecule Aggregates Inhibit Enzyme Activity? A Molecular Dynamics Study.

Authors:Ghattas MA, Al Rawashdeh S, Atatreh N, Bryce RA.

Journal: Journal of Chemical Information and Modeling. July 2020, 3901-3909.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Anti-Cancer Activity and Molecular Docking of Some Pyrano [3, 2 c] quinoline Analogues.

Authors: Saeed AM, Abdou IM, Salem AA, Ghattas MA, Atatreh N, AlNeyadi SS.

Journal: Open Journal of Medicinal Chemistry. Mar 2020, 1-4.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Molecular modelling studies on alpha 7 nicotinic receptor allosteric modulators yields novel filter-based virtual screening protocol.

Authors: Al Rawashdah S, Hamrouni A, Sadek B, Amer R, Metwaly M, Atatreh N, Ghattas MA,

Journal: Journal of Molecular Graphics and Modelling 92 .July 2019, 44-54.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Identification of new inhibitors of Mdm2–p53 interaction via pharmacophore and structure-based virtual screening.

Authors: Atatreh N, Ghattas MA, Bardaweel SK, Al Rawashdah S, Al Sorkhy M.

Journal: Drug Design, Development and Therapy 2018, 12, 1-12.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Comparative Molecular Dynamics Simulation of Aggregating and Non-Aggregating Inhibitor Solutions: Understanding the Molecular Basis of Promiscuity.

Authors: Ghattas MA, Bryce RA, AlRawashdah S, Atatreh N, Zalloum WA.

Journal: ChemMedChem 2018, 13 (6), 500-506.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Computer-aided discovery of antimicrobial agents as potential enoyl acyl carrier protein reductase inhibitors.

Authors: Ghattas MA, Eissa NA, Bardaweel SK, Abu Mellal A, Atatreh N.

Journal: Tropical Journal of Pharmaceutical Research February 2017; 16 (2): 1319-1326

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: In silico design of new MPS1 inhibitors via a validated structure-based virtual screening approach.

Authors: Ghattas MA, Al Sorkhy M, Atatreh, N

Journal: Der Pharma Chemica, 8(2): 365-374, 2016.

Title: Druggability analysis and classification of protein tyrosine phosphatase active sites.

Authors: Ghattas MA, Raslan N, Sadeq A, Al Sorkhy M, Atatreh N.

Journal: Drug Design, Development and Therapy 2016, 10:3197-3209

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Analysis of enoyl acyl carrier protein reductase structure and interactions yield an efficient virtual screening approach and suggest a potential allosteric site.

Authors: Ghattas MA, Mansour RA, Atatreh N, Bryce RA.

Journal: Chemical Biology and Drug Design. 87(1): 131-142, 2016

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title: Effects of antihistamines on the function of Human α7-nicotinic acetylcholine receptors.

Authors: Sadek B, Khanian S, Ashoor A, Prytkova T, Ghattas MA, Atatreh N, Nurulain SM, Yang KS, Howarth FC, Oz M.

Journal: European Journal of Pharmacology. 746: 308–316, 2015.

DOI: https://doi.org/10.1080/13696998.2023.2224018

Title:Protein tyrosine phosphatases: Ligand interaction analysis and optimisation of virtual screening.

Authors: Ghattas MA, Atatreh N, Bichenkova EV, Bryce RA.

Journal: Journal of Molecular Graphics and Modelling. 2014; 52. 114-123.

DOI: https://doi.org/10.1080/13696998.2023.2224018