Hamed I. Aly

Hamed I. Aly

Assistant Professor of Pharmaceutical Sciences

Texas A&M Irma Lerma Rangel College of Pharmacy
1010 W. Ave. B
Kingsville, Texas   78363

Phone: 361.221.0758
Fax: 361.221.0793

Education and Training

College of Pharmaceutical Sciences, Okayama University, Japan
PhD in Medicinal Chemistry and Computer Aided Drug Design, 2007

College of Pharmacy, Helwan University, Cairo, Egypt,
Master of Science in Pharmaceutical Chemistry, 2001

Clinical Pharmacy, valedictorian, College of Pharmacy, University of Tanta, Egypt
Bachelor of Science in Pharmacy, 1988

Teaching Interests

  • Medicinal Chemistry, Organic Chemistry, and  Biochemistry
  • Drug Design, Drug Actions, Drug Discovery, and Development, Drug metabolism
  • Clinical Pharmacy & Therapeutics and Drug Interaction & Drug Monitoring
  • Computer Aided Drug Design and Molecular Modeling
  • Practical Pharmaceutical Chemistry, Organic Chemistry, and Analytical Chemistry

Research interest

  • Design, synthesize, and elucidate the mechanisms of flavins and other heterocyclic derivatives as antitumor agents against different tumor cell lines
  • Computational drug design
  • Chemical synthesis

Dr. Hamed Aly’s research is mainly focused on design, synthesis, and elucidation the mechanisms of flavins and other heterocyclic derivatives as antitumor agents against different tumor cell lines. His Lab has integrated recent techniques of computational drug design and chemical synthesis of highly active novel 5-deazaflavins, flavin, and alloxazine analogs against CCRF-HSB-2, KB, MCF-7, and HeLa tumor cell lines. This research was established by collaboration with Taisho Japanese pharmaceutical company for in vitro and in vivo biological screening. These collaborators have merged their expertise of biological evaluation and Aly’s chemical synthesis and in silico drug design to delineate the key outcomes for lead optimization. Throughout this research the most potentially active analogs against MCF-7 (human breast cancer cells) was obtained. Many of the discovered compounds target the PTK receptor in a highly specific manner (selective protein tyrosine kinase inhibitors) which can inhibit multiple features of cancer cells, including proliferation, survival, invasion, and angiogenesis.

Additionally, Aly’s research was extended to cover the discovery of bioactive 7-oxycoumarin derivatives involving computational drug design and synthesis of different derivatives followed by biological screening for their in vitro inhibitory activities. Many of these compounds revealed high affinity and selectivity for MAO-A isoenzyme, compared to clorgyline and moclobemide, showing Ki values in pM concentration range as potent and selective MAO-A inhibitors. Moreover, most of the target compounds display high potency toward MAO when tested in vivo. The molecular modeling study which was carried out on MAO-A and MAO-B structures proved new information about the enzyme−inhibitor interaction and the potential therapeutic application of 7-oxycoumarin scaffold. Most recently, Aly obtained intensive experience in the field of structure activity relationship (SAR) and synthesis of potent allosteric modulators for the Cannabinoid Receptors (CB1 and CB2) and he has published many articles revealing the Key SAR for allosteric modulation of the cannabinoid receptor 1 (CB1) and he merged this research with his expertise in Virtual Screening to get new hits as CB1 and CB2 modulators. Currently Aly has mentored eight master pharmacy students for synthesis and design of various heterocyclic analogs as potential antitumor and anti-HCV agents. Therefore he can be considered as independent creative researcher in both sides of practical and theoretical basis. The outcome of Aly’s researches, he has 8 research projects (5 current and 3 completed) of a total fund of $1.7 million. Two of them as PI and six as CO-Investigator, and he has published more than 25 articles in peer-reviewed journals in the field of Medicinal Chemistry, including J. Med. Chem., Bioorg. Med. Chem, Eur. J. Med. Chem, and ChemMedChem, in addition to being a peer reviewer in many of these journals.

Research Grants

Aly is a Principal Investigator (PI) in two funded projects and Co-Investigator (CO-I) in six projects (as a group leader in drug design implementation team). These projects are funded by King Abdul-Aziz City for Science and Technology, institute of scientific research and revival of Islamic heritage, KSA, and Science and Technology Development Fund (STDF), Egypt. Five of these projects are currently funded ($1.7 million), and three of them were completed ($815,000).

Selected Publications

  • M. M. Mahmoud; Hamed I. Ali; K. H. Ahn; A.Damaraju; S.Samala; V. K. Pulipati; S. Kolluru; D. A. Kendall; D. Lu, “Structure–Activity Relationship Study of Indole-2-carboxamides Identifies a Potent Allosteric Modulator for the Cannabinoid Receptor 1 (CB1)” J. Med. Chem., 2013, 56, 7965.
  • O. M. Abdelhafez, K. M. Amin, Hamed I. Ali, M. M. Abdalla, R. Z. Batran, “Synthesis of new 7-oxycoumarin derivatives as potent and selective monoamine oxidase a inhibitors”, J. Med. Chem., 2012, 55, 10424.
  • G. H. Hegazy, Hamed I. Ali, “Design, synthesis, biological evaluation, and comparative cox1 and cox2 docking of p-substituted benzylidenamino phenyl esters of ibuprofenic and mefenamic acids”, Bioorg.Med. Chem., 2012, 20, 1259– 1270.
  • Hamed I. Ali, M. Yamada, H. Fujita, E. Akaho, “Studies on 16α-hydroxylation of steroid molecules and regioselective binding mode in homology-modeled cytochrome P450-2C11”, Intern. J. Med. Chem., 2011, Article ID 918168, 1-11.
  • M. M. Kamel, Hamed I. Ali, M. M. Anwar, N. A. Mohamed, A. M. Soliman, “Synthesis, antitumor activity and molecular docking study of novel sulfonamide-schiff'sbases,thiazolidinones, benzothiazinones and their c-nucleoside derivatives”, Eur. J. Med. Chem., 2010, 45, 572.
  • Hamed I. Ali, T. Fujita, E. Akaho,T. Nagamatsu, “Comparative AutoDockand PMF scoring functions and SAR of 2-substituted pyrazolotriazolopyrimidines and 4-substituted pyrazolopyrimidines as potent xanthine oxidase inhibitors”, J. Comput.Aided Mol. Des, 2010, 24, 57.
  • Hamed. I. Ali, K. Tomita, E. Akaho, M. Kunishima, Y. Kawashima, T. Yamagishi, H. Ikeya, and T. Nagamatsu, “Antitumor studies. Part 2: Structure-activity relationship study for flavin analogs including investigations on their in vitro antitumor assay and docking simulation into protein tyrosine kinase.”,Eur. J. Med. Chem.,2008, 43, 1376.
  • Hamed. I. Ali, N. Ashida, T. Nagamatsu, “Antitumor Studies. Part 4: design, synthesis, antitumor activity, and molecular docking study of novel 2-substituted 2-deoxoflavin-5-oxides, 2-deoxoalloxazine-5-oxides, and their 5-deaza analogs”, Bioorg.Med. Chem., 2008, 16, 922.
  • Hamed. I. Ali, N. Ashida, T. Nagamatsu, “Antitumor studies. Part 3: design, synthesis, antitumor activity, and molecular docking study of novel 2-methylthio-, 2-amino-, and 2-(N-substituted amino)-10-alkyl-2-deoxo- 5-deazaflavins”, Bioorg. Med. Chem., 2007, 15, 6336.
  • Hamed. I. Ali, K.Tomita, E. Akaho, H. Kambara, S. Miura, H. Hayakawa, N. Ashida, Y. Kawashima, T. Yamagishi, H. Ikeya, F. Yoneda, and T. Nagamatsu, “Antitumor studies. Part 1: design, synthesis, antitumor activity, and AutoDock study of 2-deoxo-2-phenyl-5-deaza- flavins and 2-deoxo-2-phenylflavin-5-oxides as a new class of antitumor agents”, Bioorg. Med. Chem., 2007, 15, 242.


  • Srikanth Kolluru, Sandeep Sundriyal, Hamed I. Aly Ismail, Dai Lu, U.S. provisional patent application titled: Chromene Compounds And Their Use As HivIntegrase Inhibitors, Application No. 61/899,725; Texas A&M University (Nov., 2013).

National service and recognition

  • First Place in Poster Competition; 2013 Research Colloquium, TAMHSC, College of Pharmacy, (2013).
  • Outstanding Researcher Award at College of Pharmacy, Umm Al-Qura Univ., Makkah, KSA. (2012).
  • Peer reviewer for the European Journal of Medicinal Chemistry, Bioorganic Medicinal Chemistry, and Egyptian Pharmaceutical Journal (2011-2014)
  • King Abdul-Aziz City for Science and Technology (KACST) 535,000 USD Grant, as CO-I, KSA (2012)
  • Institute of scientific research and revival of Islamic heritage 43,000 USD Grant, as CO-I, KSA (2012)
  • Science and Technology Development Fund (STDF) 460,000 USD Grant, as CO-I, Egypt (2011).
  • King Abdul-Aziz City for Science and Technology (KACST) 535,000 USD Grant as CO-I, KSA (2011).
  • King Abdul-Aziz City for Science and Technology (KACST) 530,000 USD Grant, as PI, KSA (2011).
  • Science and Technology Development Fund (STDF) 460,000 USD Grant as CO-I, Egypt (2010).
  • OMSA Merit Award, instituted by Okayama Student Association of Okayama Univ., Japan (2010).
  • The Doctor of the year Award at Helwan Univ., College of Pharmacy. (2008-2009).
  • First Place in Poster presented in the 1st Scientific Conference of College of Pharmacy, Cairo Univ. (2008).
  • National scholarship offered by Egyptian Government for the Ph.D. degree in Japan (2003-2007).
  • The Valedictorian Award for 5-years at College of Pharmacy, Egyptian Syndicate of Cairo pharmacists (1996).
  • Award of Excellence at College of Pharmacy, University of Tanta, Tanta, Egypt. Government of Egypt (1996).