Drug Design and Action Group

 

Members

Contact us

Dr. Mohammad Ghattas
College of Pharmacy, Building P
Al Ain University
P.O.Box: 112612 Abu Dhabi, UAE
Email:  mohammad.ghattas@aau.ac.ae
Phone: +971 2 6133 275

 

Old Members

  • Prof. Amal Yousef
  • Ms. Nermin Issa
  • Ms. Sarah Al Rawashdeh

 

Research areas

  • in silico Study of proteins and protein-ligand complexes
    Assessing enzymes’ binding site (e.g. druggability) and analysing their interactions with corresponding ligands so that a novel drug design strategy can be proposed & validated (via pharmacophore & docking).
  • Drug discovery and lead optimization
    Computer-aided drug design that includes hits discovery and lead optimization of several targets that are involved in Cancer (e.g. MPS1, PTPs, MDM2) and bacterial infections (e.g. ENRs).
  • Studying aggregation-based promiscuity
    Conducting tens of MD simulation for drug aggregate-protein complexes and extensively analyse them to figure out the driving forces behind such a phenomenon
  • in vitro evaluation of leads
    Screening compounds for their biological activity via different enzymatic assays. When required, this is extended to include antibacteraial assay through conventional testing methods.

Collaborators

  • Dr. Richard Bryce – The University of Manchester, UK
  • Bassam Ali – UAE University, UAE
  • Dr. Basem Sadek – UAE University
  • Dr. Sanaa Bardaweel – University of Jordan, Jordan

 

Research facilities

  • Molecular modelling lab includes:
    • Two advanced workstations
    • Specialised drug design software (e.g. MOE, Maestro, AMBER and ChemAxon)
  • Organic synthesis lab
  • Microbiology lab with state of the art equipment

 

Publications

  1. Mohamed, F.E., Al Sorkhy, M., Ghattas, M.A., (...), Al-Jasmi, F., Ali, B.R. A Novel Homozygous Missense Variant in the NAGA Gene with Extreme Intrafamilial Phenotypic Heterogeneity. Journal of Molecular Neuroscience. 2020, 70(1), pp. 45-55 https://doi.org/10.1007/s12031-019-01398-6
  2. Hijazi, A.K., Taha, Z.A., Ababneh, T.S., (...),Al-Bataineh, N, Al-Momani, W.M., Ajlouni, A.M. In vitro biological, catalytic, and DFT studies of some iron(III) N-ligated complexes. Chemical Papers. Accepted in 2019, In press. Chemical Papers. https://doi.org/10.1007/s11696-019-01009-z
  3. Salem, A.A., Lotfy, M., Amin, A., Ghattas, M.A.. Characterization of human serum albumin's interactions with safranal and crocin using multi-spectroscopic and molecular docking techniques. Biochemistry and Biophysics Reports. 2019, 20,100670. https://doi.org/10.1016/j.bbrep.2019.100670
  4. Ghemrawi, R., Arnold, C., Battaglia-Hsu, S.-F., (...), Guéant, J.-L., Coelho, D. SIRT1 activation rescues the mislocalization of RNA-binding proteins and cognitive defects induced by inherited cobalamin disorders. Metabolism: Clinical and Experimental. 2019 101,153992. DOI: https://doi.org/10.1016/j.metabol.2019.153992
  5. Al Rawashdah S, Hamrouni A, Sadek B, Amer R, Metwaly M, Atatreh N, Ghattas MA, Molecular modelling studies on alpha 7 nicotinic receptor allosteric modulators yields novel filter-based virtual screening protocol. Journal of Molecular Graphics and Modelling. 2019, 44-54. https://doi.org/10.1016/j.jmgm.2019.07.001
  6. Atatreh N, Al Rawashdah S, Al Neyadi Sh, Abuhamdah S, Ghattas MA, Discovery of new butyrylcholinesterase inhibitors via structure-based virtual screening. Journal of Enzyme Inhibition and Medicinal Chemistry. July 2019, 1373-1379. https://doi.org/10.1080/14756366.2019.1644329
  7. 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, Anti-inflammatory drug approach: Synthesis and biological evaluation of novel pyrazolo[3,4-d]pyrimidine compounds. Bioorganic Chemistry. 2019, 86, 393-400. https://doi.org/10.1016/j.bioorg.2019.02.014
  8. Atatreh N, Ghattas MA, Bardaweel SK, Al Rawashdah S, Al Sorkhy M. Identification of new inhibitors of Mdm2–p53 interaction via pharmacophore and structure-based virtual screening. Drug Design, Development and Therapy 2018, 12, 1-12. DOI https://doi.org/10.2147/DDDT.S182444
  9. Ben-Mahmoud, A., Ben-Salem, S., Al-Sorkhy, M., John, A., Ali, B.R. and Al-Gazali, L. 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. Clin Genet. 2018 Feb 14. doi: 10.1111/cge.13236.
    Ghattas MA, Bryce RA, AlRawashdah S, Atatreh N, Zalloum WA. Comparative Molecular Dynamics Simulation of Aggregating and Non-Aggregating Inhibitor Solutions: Understanding the Molecular Basis of Promiscuity. ChemMedChem 2018, 13 (6), 500-506. https://doi.org/10.1002/cmdc.201700654
  10. AlNeyadi SS, Salem AA, Ghattas MA, Atatreh N, Abdou IM. Antibacterial activity and mechanism of action of the benzazole acrylonitrile-based compounds: In vitro, spectroscopic, and docking studies. European Journal of Medicinal Chemistry 2017, 136, 270–282. DOI: https://doi.org/10.1016/j.ejmech.2017.05.010
  11. Malki A, Elbayaa RY, Ali O, Sultan A, Youssef AM. Novel quinuclidinone derivatives induced apoptosis in human breast cancer via targeting p53. Bioorganic Chemistry 2017, 72: 57-63. DOI: https://doi.org/10.1016/j.bioorg.2017.03.010
  12. Ghattas MA, Eissa NA, Bardaweel SK, Abu Mellal A, Atatreh N. Computer-aided discovery of antimicrobial agents as potential enoyl acyl carrier protein reductase inhibitors, Tropical Journal of Pharmaceutical Research 2017, 16 (2), 397-405. http://dx.doi.org/10.4314/tjpr.v16i2.19
  13. 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. A de novo mutation in the X-linked PAK3 gene is the underlying cause of intellectual disability and macrocephaly in monozygotic twins. European Journal of Medical Genetics 2017, 60 (4), 212-216. http://doi.org/10.1016/j.ejmg.2017.01.004
  14. Basim A, Muhi-Eldeen ZA, Al-Kaissi E, Sauifan G, Ghattas MA, Arafat T, Al-Adham I. Design, synthesis and biological screening of aminoacetylenictetrahydrophthalimideanalogues as novel COX inhibitors. International Journal of Pharmacy and Pharmaceutical Sciences 2017, 9(2):160. DOI: 10.22159/ijpps.2017v9i2.15511
  15. Ghattas MA, Raslan N, Sadeq A, Al Sorkhy M, Atatreh N. Druggability analysis and classification of protein tyrosine phosphatase active sites. Drug Design, Development and Therapy 2016, 10:3197-3209. DOI 10.2147/DDDT.S111443
  16. Abduelkarem AR, Hamrouni AM. The choice of pharmacy profession as a career: UAE experience. Asian Journal of Pharmaceutical and Clinical Research, 2016; 9(4); 1-7.
  17. Ghattas MA, Al Sorkhy M, Atatreh, N. In silico design of new MPS1 inhibitors via a validated structure-based virtual screening approach. Der Pharma Chemica, 8(2): 365-374, 2016.
  18. Al Sorkhy M.,Jalili E, Fillfield, B and LA Porter. Direct Interactions with both p27 and Cdk2 Regulate Spy1-Mediated Proliferation in vivo and in vitro. Cell cycle. 2016;15(1):128-36. doi: 10.1080/15384101.2015.1121327.
  19. Ghattas MA, Mansour RA, Atatreh N, Bryce RA. Analysis of enoyl acyl carrier protein reductase structure and interactions yield an efficient virtual screening approach and suggest a potential allosteric site. Chemical Biology and Drug Design. 87(1): 131–142, 2016. DOI: 10.1111/cbdd.12635
  20. Al-jomaily M, Arafat T, Al-kaissi EN, Ghattas MA, Muhi-eldeen ZA. Synthesis of 2-{[4-(t-amino-1-yl)but-2-ny-1-yl]oxy}-benzophenone derivatives as H3-antagonists. International Journal of Pharmaceutical and Pharmaceutical Sciences. 7(6):174-179, 2015.
  21. Qinna NA, Shubbar MH, Matalka KZ, Al‐Jbour N, Ghattas MA, Badwan AA. Glucosamine Enhances Paracetamol Bioavailability by Reducing Its Metabolism. Journal of Pharmaceutical Sciences. 104:257–265, 2015. DOI: 10.1002/jps.24269
  22. Shkshak K, Afan A, Auzi A, Hamrouni AM. The Hypoglycemic Effect of Libyan truffle in Experimental Induced rates. Tripolitana Medical Journal. 2014; 3 (1) 1-4.
  23. Al-Rahmani R, Al-kaissi E, Arafat T, Ghattas M, Muhi-eldeen Z. Synthesis of 2-[{4-(t-amino-1-yl)but-2-yn-1-yl }oxy]-1,3-benzothiazole derivatives as H3-antagonists. IOSR Journal of Pharmacy. 2014; 4(9):40-49. DOI: 10.9790/3013-0409040049
  24. Ghattas MA, Atatreh N, Bichenkova EV, Bryce RA. Protein tyrosine phosphatases: Ligand interaction analysis and optimisation of virtual screening. Journal of Molecular Graphics and Modelling. 2014; 52. 114-123. DOI:10.1016/j.jmgm.2014.06.011
  25. Sadek B, Hamrouni AM, Adam A. Anti-inflammatory agents of the carbamoylmethyl ester class: synthesis, characterization, and pharmacological evaluation. Journal of Inflammation Research 2013:6 1-9.
  26. Hamrouni AM, Musa F, Alatery A, Aburawi S, Alzatreny A, Auzi A. Phytochemical, Antioxidant, Antibacterial and Anti-Inflammatory Investigation of the Methanolic Extract of Amaranthus Tricolor Seed. Tripolitana Medical Journal. 2012; 1 (2), 94-99. DOI: 10.2147/JIR.S39743
  27. Malki A, Elbayaa RY, Ashour HMA, Loffredo CA, Youssef AM. Novel thiosemicarbazides induced apoptosis in human MCF-7 breast cancer cells via JNK signaling. Journal of Enzyme Inhibition and Medicinal Chemistry. Posted online on November 3 2014. DOI:10.3109/14756366.2014.971781
  28. Sadek B, Khanian S, Ashoor A, Prytkova T, Ghattas MA, Atatreh N, Nurulain SM, Yang KS, Howarth FC, Oz M. Effects of antihistamines on the function of Human α7-nicotinic acetylcholine receptors. European Journal of Pharmacology. 2015; 746: 308–316. DOI:10.1016/j.ejphar.2014.10.046

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