Bio

Honors & Awards


  • Lynn Anderson Research Excellence Award, University of Iowa (2018)
  • Innovator Award, University of Iowa (2018)
  • Life Sciences Postdoctoral Fellowship (Gratefully declined), University of Michigan (2018)
  • ACS Division of Inorganic Chemistry (DIC) Travel Award 2019, ACS (2019)
  • Graduate College, University of Iowa Travel Award, University of Iowa (2019)
  • ACS Division of Organic Chemistry (ORGN) Travel Award, ACS (2018)
  • Ballard Seashore Dissertation Fellowship, University of Iowa (2018)
  • Graduate College, University of Iowa Travel Award, University of Iowa (2018)
  • University of Iowa Semester Fellowship in Radiochemistry, University of Iowa (2018)
  • Graduate College Summer Fellowship, University of Iowa (2017)
  • Outstanding Teaching Award, University of Iowa (2017)
  • Distinguished Master?s Thesis Award in Mansoura University for 2014/2015, Mansoura University (2015)
  • University of Iowa Graduate College Fellowship in Radiochemistry, University of Iowa (2015)
  • RSC Travel Award to 3rd RSC Young Members Symposium, Royal Society of Chemistry (RSC) (2014)
  • University of Jena Travel Award to JCF spring symposium 2014, University of Jena (2014)
  • Best Poster Award, Al Azhar University (2013)
  • Participants Prize in 7th PG Symposium on Biological and Medicinal Chemistry, Cambridge, UK, Royal Society of Chemistry (RSC) (2013)
  • Chinese Academy of Sciences Undergraduate Research Scholarship Summer 2010, Chinese Academy of Sciences (2010)

Boards, Advisory Committees, Professional Organizations


  • Lead Guest Editor, BioMed Res Int (2019 - Present)

Professional Education


  • PhD, University of Iowa, Chemistry (2019)
  • MSc, Mansoura University, Medicinal chemistry and drug design (2014)
  • BSc, Mansoura University, Pharmaceutical Sciences (2011)

Stanford Advisors


Patents


  • Chris Pigge, Moustafa Gabr. "United States Patent US Patent App. Serial No. 62/816,421 Dinuclear platinum(II) complexes and methods of use thereof", Mar 11, 2019
  • Michael Schultz, Jessica Reedy, Chris Pigge, Moustafa Gabr. "United StatesImage-guided therapy of cancer", May 29, 2018
  • M. Schultz, C. Pigge, M. Li, E. Sagastume,. "United States Patent US Patent App. Serial No. 62/662,074 Compositions for chelating metals at low temperature", May 4, 2018

Publications

All Publications


  • Multitarget therapeutic strategies for Alzheimer's disease NEURAL REGENERATION RESEARCH Ibrahim, M. M., Gabr, M. T. 2019; 14 (3): 437?40

    Abstract

    Neurodegenerative diseases such as Alzheimer's, Huntington's and Parkinson's diseases have multifaceted nature because of the different factors contributing to their progression. The complex nature of neurodegenerative diseases has developed a pressing need to design multitarget-directed ligands to address the complementary pathways involved in these diseases. The major enzyme targets for development of therapeutics for Alzheimer's disease are cholinesterase and ?-secretase enzymes. In this review, we discuss recent advances in profiling single target inhibitors based on these enzymes to multitarget-directed ligands as potential therapeutics for this devastating disease. In addition, therapeutics based on iron chelation strategy are discussed as well.

    View details for DOI 10.4103/1673-5374.245463

    View details for Web of Science ID 000453454800009

    View details for PubMedID 30539809

    View details for PubMedCentralID PMC6334608

  • Synthesis, molecular modeling and biological evaluation of new pyrazolo[3,4-b]pyridine analogs as potential antimicrobial, antiquorum-sensing and anticancer agents. Bioorganic chemistry El-Gohary, N. S., Gabr, M. T., Shaaban, M. I. 2019; 89: 102976

    Abstract

    New pyrazolo[3,4-b]pyridine analogs 2-9 were synthesized and subjected to antimicrobial testing toward chosen Gram-negative bacteria, Gram-positive bacteria and fungi. Compound 2 exhibited potent and extended-spectrum antimicrobial activity. Further, 6 and 9c demonstrated remarkable and extended-spectrum antibacterial activity. Antiquorum-sensing activity of the new members was tested over C. violaceum, whereas 9c demonstrated strong efficacy, while 2, 8b and 9b displayed moderate efficacy. In vitro anticancer assay toward HepG2, MCF-7 and Hela cancer cells manifested that 2 and 9c are powerful and extended-spectrum anticancer agents. Additionally, 8a, 8b and 9b showed excellent activity toward the three cancer cells. In vivo anticancer assay over EAC in mice indicated that 2 and 9c have the greatest activity. Moreover, cytotoxicity assay over WISH and W138 normal cells clarified that the checked analogs possess weak cytotoxicity toward the two normal cells. DNA-binding affinity was also tested, whereas 2, 3, 8b, 9b and 9c demonstrated great affinity. Molecular modeling studies revealed that the investigated compounds bind to DNA through intercalation similarly to doxorubicin. In silico studies revealed that the new members are anticipated to show excellent intestinal absorption.

    View details for DOI 10.1016/j.bioorg.2019.102976

    View details for PubMedID 31103494

  • Platinum(II) Complexes with Sterically Expansive Tetraarylethylene Ligands as Probes for Mismatched DNA INORGANIC CHEMISTRY Gabr, M. T., Pigge, F. 2018; 57 (20): 12641?49

    Abstract

    Deficiencies in DNA mismatch repair (MMR) machinery result in greater incidence of DNA base pair mismatches in many types of cancer cells relative to normal cells. Consequently, luminescent probes capable of signaling the presence of mismatched DNA hold promise as potential cancer diagnostic and therapeutic tools. In this study, a series of cyclometalated platinum(II) complexes with sterically expansive tetraarylethylene ligands were synthesized and examined for selective detection of mismatched DNA. Increased steric bulk of the tetraarylethylene ligands in these complexes was observed to correlate with greater preferential luminescence enhancement in the presence of hairpin DNA oligonucleotides containing a mismatched site compared to well-matched oligonucleotides, with the most effective complex displaying ?14-fold higher emission upon binding CC mismatched oligonucleotides compared to well-matched oligonucleotides. The results indicate binding to mismatched sites in DNA oligonucleotides occurs through metalloinsertion, and the luminescence response increases as a function of thermodynamic destabilization of the mismatch. Luminescence quenching experiments with Cu(phen)22+ and NaI further indicate mismatch binding from the minor groove, consistent with metalloinsertion. Binding to CC mismatched oligonucleotides was also investigated by isothermal titration calorimetry and UV-melting studies. These results demonstrate the efficacy of tetraarylethylene-based platinum(II) complexes for detection of mismatched DNA and establish a new molecular platform for development of organometallic DNA binding agents.

    View details for DOI 10.1021/acs.inorgchem.8b01782

    View details for Web of Science ID 000447680400026

    View details for PubMedID 30260643

  • Design and synthesis of donepezil analogues as dual AChE and BACE-1 inhibitors BIOORGANIC CHEMISTRY Gabr, M. T., Abdel-Raziq, M. S. 2018; 80: 245?52

    Abstract

    Multi-target-directed ligands (MTDLs) centered on ?-secretase 1 (BACE-1) inhibition are emerging as innovative therapeutics in addressing the complexity of neurodegenerative diseases. A new series of donepezil analogues was designed, synthesized and evaluated as MTDLs against neurodegenerative diseases. Profiling of donepezil, a potent acetylcholinesterase (hAChE) inhibitor, into BACE-1 inhibition was achieved through introduction of backbone amide linkers to the designed compounds which are capable of hydrogen-bonding with BACE-1 catalytic site. In vitro assays and molecular modeling studies revealed the dual mode of action of compounds 4-6 against hAChE and BACE-1. Notably, compound 4 displayed potent hAChE inhibition (IC50 value of 4.11?nM) and BACE-1 inhibition (IC50 value of 18.3?nM) in comparison to donepezil (IC50 values of 6.21 and 194?nM against hAChE and BACE-1, respectively). Moreover, 4 revealed potential metal chelating property, low toxicity on SH-SY5Y neuroblastoma cells and ability to cross the blood-brain barrier (BBB) in PAMPA-BBB assay which renders 4 a potential lead for further optimization of novel small ligands for the treatment of Alzheimer's disease.

    View details for DOI 10.1016/j.bioorg.2018.06.031

    View details for Web of Science ID 000441537800028

    View details for PubMedID 29966870

  • Antioxidant, alpha-glucosidase inhibitory and in vitro antitumor activities of coumarin-benzothiazole hybrids HETEROCYCLIC COMMUNICATIONS Gabr, M. T. 2018; 24 (5): 243?47
  • Synthesis, antiproliferative activity and autophagic flux inhibition of new arylsparteine derivatives PHYTOCHEMISTRY LETTERS Gabr, M. T., Abdel-Raziq, M. S. 2018; 27: 203?7
  • Structure-based design, synthesis, and evaluation of structurally rigid donepezil analogues as dual AChE and BACE-1 inhibitors BIOORGANIC & MEDICINAL CHEMISTRY LETTERS Gabr, M. T., Abdel-Raziq, M. S. 2018; 28 (17): 2910?13

    Abstract

    A new series of structurally rigid donepezil analogues was designed, synthesized and evaluated as potential multi-target-directed ligands (MTDLs) against neurodegenerative diseases. The investigated compounds 10-13 displayed dual AChE and BACE-1 inhibitory activities in comparison to donepezil, the FDA-approved drug. The hybrid compound 13 bearing 2-aminoquinoline scaffold exhibited potent AChE inhibition (IC50 value of 14.7?nM) and BACE-1 inhibition (IC50 value of 13.1?nM). Molecular modeling studies were employed to reveal potential dual binding mode of 13 to AChE and BACE-1. The effect of the investigated compounds on the viability of SH-SY5Y neuroblastoma cells and their ability to cross the blood-brain barrier (BBB) in PAMPA-BBB assay were further studied.

    View details for DOI 10.1016/j.bmcl.2018.07.019

    View details for Web of Science ID 000441514700020

    View details for PubMedID 30017317

  • Structure-Based Design and Synthesis of Fluorene Derivatives as Novel RORt Inverse Agonists CHEMISTRY & BIODIVERSITY Gabr, M. T., Abdel-Raziq, M. S. 2018; 15 (9): e1800244

    Abstract

    A new series of fluorene derivatives was designed and synthesized as novel retinoic acid receptor-related orphan receptor gamma t (ROR?t) inverse agonists utilizing a molecular hybridization approach. The new compounds 10 - 15 were evaluated for their ROR?t activity using biochemical FRET and cellular reporter gene assays. Moreover, the inhibitory activity of the fluorene derivatives 10 - 15 in mouse Th17 cell differentiation assay was assessed. The hybrid compound 15 that combines both fluorene and arylsulfone moieties displayed promising ROR?t activity with IC50 values of 68.6 and 99.5 nm in FRET and cellular assays, respectively. In addition, molecular modeling studies were employed to investigate potential binding mode of 15 to ROR?t. These results render 15 a potential lead compound for development of therapeutics for Th17-driven autoimmune diseases.

    View details for DOI 10.1002/cbdv.201800244

    View details for Web of Science ID 000444576900014

    View details for PubMedID 29935095

  • Rhenium Complexes of Bis(benzothiazole)-Based Tetraarylethylenes as Selective Luminescent Probes for Amyloid Fibrils CHEMISTRY-A EUROPEAN JOURNAL Gabr, M. T., Pigge, F. 2018; 24 (45): 11729?37

    Abstract

    Probes for monitoring aggregation of amyloid beta (A?) peptides are crucial to advance understanding of the molecular pathogenesis of Alzheimer's Disease (AD). Here, we report luminescent tricarbonyl rhenium complexes of tetraarylethylene (TAE) ligands featuring bis(benzothiazole) chelating groups in combination with (oligo)thiophene units that have been designed for monitoring amyloid fibrillation. Variation in the number of thiophenes influenced the photophysical properties of these complexes, as well as their binding affinities toward A?42 fibrils. All complexes displayed submicromolar Kd's for binding A?42 aggregates accompanied by up to 34-fold enhanced luminescence and red-shifted emission wavelengths. The high binding affinities and desirable photophysical properties of these complexes render them potential alternatives to established fluorescent A? probes such as thioflavin T. Additionally, the general and modular design approach implemented in this study should facilitate development of second-generation TAE-based diagnostic tools for studying protein aggregation in AD and other neurological diseases.

    View details for DOI 10.1002/chem.201801801

    View details for Web of Science ID 000441126900027

    View details for PubMedID 29906302

  • Pharmacophore-based tailoring of biphenyl amide derivatives as selective 5-hydroxytryptamine 2B receptor antagonists MEDCHEMCOMM Gabr, M. T., Abdel-Raziq, M. S. 2018; 9 (6): 1069?75

    Abstract

    We designed and synthesized a new biphenyl amide-tryptamine hybrid molecule 7 utilizing a pharmacophore-based approach as a 5-HT2B antagonist. The hybrid compound 7 was evaluated for its affinity to a panel of seven 5-HT receptors, demonstrating high selectivity for the 5-HT2B receptor. Functional assays revealed potent antagonism of 5-HT2B by 7 with an IC50 value of 14.1 nM. Moreover, compound 7 possessed a desirable in vitro pharmacokinetic profile and maintained its antagonistic potency in the presence of physiological concentrations of serum proteins. The design approach implemented in this investigation would facilitate the development of a second generation of highly selective and potent 5-HT2B antagonists.

    View details for DOI 10.1039/c8md00204e

    View details for Web of Science ID 000436030700017

    View details for PubMedID 30108996

    View details for PubMedCentralID PMC6072314

  • Sensitizing Hypoxic Small Cell Lung Cancer Cells to Radiation and Hydrogen Peroxide-Producing Agents Using CuATSM Sciegienka, S., Rodman, S., Tomanek-Chalkley, A., Lee, D., Heer, C., Gabr, M., Falls, K., O'Dorisio, S., Spitz, D., Fath, M. LIPPINCOTT WILLIAMS & WILKINS. 2018: 354
  • A fluorescent turn-on probe for cyanide anion detection based on an AIE active cobalt(II) complex DALTON TRANSACTIONS Gabr, M. T., Pigge, F. 2018; 47 (6): 2079?85

    Abstract

    A new tetradentate polypyridine ligand that displays aggregation induced emission (AIE) characteristics has been synthesized. A coordination complex with CoCl2 has been prepared and characterized by X-ray crystallography. The Co(ii) complex retains the AIE activity of the ligand in aqueous solution while also exhibiting a selective turn-on fluorescence response in the presence of cyanide anion. A complex?:?CN- binding stoichiometry of 1?:?2 was indicated via Job plot analysis and the limit of detection for CN- was determined to be 0.59 ?M. The fluorescence response is attributed to coordination of CN- by the AIE active Co(ii) complex, resulting in decreased solubility in aqueous medium and concomitant generation of larger nanoaggregates as revealed by dynamic light scattering (DLS) measurements. The sensitivity and selectivity displayed by this sensor for CN- over other anions renders it a candidate probe for CN- detection in aqueous environments.

    View details for DOI 10.1039/c7dt04242f

    View details for Web of Science ID 000424226200039

    View details for PubMedID 29355267

  • Salts and Co-Crystalline Assemblies of Tetra(4-Pyridyl)Ethylene with Di-Carboxylic Acids CRYSTALS Gabr, M. T., Pigge, F. 2018; 8 (1)
  • Microwave-assisted synthesis, antimicrobial, antiquorum-sensing and cytotoxic activities of a new series of isatin--thiocarbohydrazones SYNTHETIC COMMUNICATIONS Gabr, M. T., El-Gohary, N. S., El-Bendary, E. R., Ni, N., Shaaban, M. I., El-Kerdawy, M. M. 2018; 48 (22): 2899?2911
  • Rhenium tricarbonyl complexes of AIE active tetraarylethylene ligands: tuning luminescence properties and HSA-specific binding DALTON TRANSACTIONS Gabr, M. T., Pigge, F. 2017; 46 (43): 15040?47

    Abstract

    The synthesis and photophysical properties of luminescent Re(i) tricarbonyl complexes prepared from bis(pyridyl)- and bis(quinolyl) tetraarylethylene (TAE) ligands are reported. Emission wavelengths of the complexes are influenced by structural variation in the tetraarylethylene ligands, and several complexes display aggregation-induced enhanced emission in aqueous solution. A Re(i) complex prepared from an indole-functionalized TAE ligand shows significant enhancement in its luminescence intensity accompanied by a remarkable blue shift (?95 nm) upon specific binding to site II of human serum albumin.

    View details for DOI 10.1039/c7dt03380j

    View details for Web of Science ID 000414775000039

    View details for PubMedID 29063077

  • A turn-on AIE active fluorescent sensor for Hg2+ by combination of 1,1-bis(2-pyridyl)ethylene and thiophene/bithiophene fragments MATERIALS CHEMISTRY FRONTIERS Gabr, M. T., Pigge, F. 2017; 1 (8): 1654?61

    View details for DOI 10.1039/c7qm00085e

    View details for Web of Science ID 000412455200023

  • Isatin-beta-thiocarbohydrazones: Microwave-assisted synthesis, antitumor activity and structure-activity relationship EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY Gabr, M. T., El-Gohary, N. S., El-Bendary, E. R., El-Kerdawy, M. M., Ni, N. 2017; 128: 36?44

    Abstract

    A new series of isatin-?-thiocarbohydrazones was synthesized based on the pharmacophoric features of triapine required for metal chelation. Our strategy involved the modifications of triapine basic skeleton by replacing pyridinyl moiety with isatin which retains the tridentate feature of triapine needed for metal chelation. The new compounds were esteemed for their antitumor efficacy against cervical cancer (Hela) and kidney fibroblast cancer (COS-7) cell lines. Compounds 4c, 4d, 5c and 5e exhibited remarkable efficacy against Hela cell line. In addition, compounds 4c, 4k, 4e, 5c and 5e displayed an outstanding efficacy against COS-7 cell line. Compounds 4c, 4k, 4e, 5c and 5e were examined for their in vivo antitumor efficacy against Ehrlich ascites carcinoma (EAC) in mice. Pharmacophore mapping was performed to study the structural features of the synthesized compounds compared to triapine and to identify the essential moieties required for potent and selective antitumor activity.

    View details for DOI 10.1016/j.ejmech.2017.01.030

    View details for Web of Science ID 000397180600004

    View details for PubMedID 28147307

  • MICROWAVE-ASSISTED SYNTHESIS AND ANTITUMOR EVALUATION OF A NEW SERIES OF THIAZOLYLCOUMARIN DERIVATIVES EXCLI JOURNAL Gabr, M. T., El-Gohary, N. S., El-Bendary, E. R., El-Kerdawy, M. M., Ni, N. 2017; 16: 1114?31

    Abstract

    A new series of thiazolylcoumarin derivatives was synthesized. The designed strategy embraced a molecular hybridization approach which involves the combination of the thiazole and coumarin pharmacophores together. The new hybrid compounds were tested for in vitro antitumor efficacy over cervical (Hela) and kidney fibroblast (COS-7) cancer cells. Compounds 5f, 5h, 5m and 5r displayed promising efficacy toward Hela cell line. In addition, 5h and 5r were found to be the most active candidates toward COS-7 cell line. The four active analogs, 5f, 5h, 5m and 5r were screened for in vivo antitumor activity over EAC cells in mice, as well as in vitro cytotoxicity toward W138 normal cells. Results illustrated that 5r has the highest in vivo activity, and that the four analogs are less cytotoxic than 5-FU toward W138 normal cells. In this study, 3D pharmacophore analysis was performed to investigate the matching pharmacophoric features of the synthesized compounds with trichostatin A. In silico studies showed that the investigated compounds meet the optimal needs for good oral absorption with no expected toxicity hazards.

    View details for DOI 10.17179/excli2017-208

    View details for Web of Science ID 000409469100002

    View details for PubMedID 29285008

    View details for PubMedCentralID PMC5735336

  • Synthesis and Evaluation of Tetraarylethylene-based Mono-, Bis-, and Tris(pyridinium) Derivatives for Image-Guided Mitochondria Specific Targeting and Cytotoxicity of Metastatic Melanoma Cells BIOCONJUGATE CHEMISTRY Reedy, J. L., Hedlund, D. K., Gabr, M. T., Henning, G. M., Pigge, F., Schultz, M. K. 2016; 27 (10): 2424?30

    Abstract

    Metastatic melanoma is the most aggressive and lethal form of skin cancer. Emerging evidence suggests that differences in melanoma metabolism relative to nonmalignant cells represent potential targets for improved therapy for melanoma. Specifically, melanoma cells exhibit increased mitochondrial electron transport chain (ETC) activity and concomitant hyperpolarized mitochondrial membrane potential relative to nonmalignant cells. We have synthesized several new fluorescent lipophilic vinylpyridinium cations built from tetraarylethylene scaffolds that target mitochondria via attraction to the hyperpolarized mitochondrial membrane potential. Mitochondria-specific accumulation in melanoma cells relative to normal human fibroblasts was demonstrated using confocal fluorescence microscopy and resulted in the disruption of oxidative metabolism leading to melanoma specific cell death in vitro. Thus, the pyridinium tetraarylethylene platform represents a promising new mitochondrial-targeted delivery vehicle with potential imaging and therapeutic properties.

    View details for DOI 10.1021/acs.bioconjchem.6b00394

    View details for Web of Science ID 000385992000024

    View details for PubMedID 27643916

    View details for PubMedCentralID PMC5278540

  • Synthesis, in vitro antitumor activity and molecular modeling studies of a new series of benzothiazole Schiff bases CHINESE CHEMICAL LETTERS Gabr, M. T., El-Gohary, N. S., El-Bendary, E. R., El-Kerdawy, M. M., Ni, N. 2016; 27 (3): 380?86
  • A selective fluorescent sensor for Zn2+ based on aggregation-induced emission (AIE) activity and metal chelating ability of bis(2-pyridyl)-diphenylethylene DALTON TRANSACTIONS Gabr, M. T., Pigge, F. 2016; 45 (36): 14039?43

    Abstract

    Polypyridyl ethylenes have been prepared as heterocyclic analogues of tetraphenylethylene. In addition to conventional AIE effects, a derivative possessing a 1,1-bis(2-pyridyl)ethylene fragment displays Zn(2+)-selective enhanced fluorescence in aqueous solution, in contrast to the behavior of isomeric bis(3- and 4-pyridyl)ethylenes. The Zn(2+)-sensing capability of this material is attributed to formation of chelated Zn(2+)-bis(pyridyl) complexes and is supported by the X-ray crystal structure of a bis(2-pyridyl)ethylene-Zn(OAc)2 complex.

    View details for DOI 10.1039/c6dt02657e

    View details for Web of Science ID 000384237300007

    View details for PubMedID 27549610

  • AIE Active Heteroarylethylenes Aggregation-Induced Emission: Materials and Applications Volume 1 Gabr, M. T., Pigge, C. 2016
  • Synthesis, antimicrobial, antiquorum-sensing and cytotoxic activities of new series of benzothiazole derivatives CHINESE CHEMICAL LETTERS Gabr, M. T., El-Gohary, N. S., El-Bendary, E. R., El-Kerdawy, M. M., Ni, N., Shaaban, M. I. 2015; 26 (12): 1522?28
  • Structure-based drug design and biological evaluation of 2-acetamidobenzothiazole derivative as EGFR kinase inhibitor JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY Gabr, M. T., El-Gohary, N. S., El-Bendary, E. R., El-Kerdawy, M. M. 2015; 30 (1): 160?65

    Abstract

    EGFR tyrosine kinase has been reported mainly in 40-80% of non-small lung cancers, in addition to colon and breast cancers. In this study, we illustrate the synthesis of a highly potent antitumor agent. The synthesized compound 4 was screened at NCI, USA, for antitumor activity against non-small lung cancer, colon cancer and breast cancer cell lines. Results indicated that this compound is more potent antitumor agent compared to erlotinib against all tested cell lines except breast cancer (MDA-MB-468) cell line. In addition, it was tested initially at a single dose concentration of 100 µM over 11 different kinases. At this concentration, 94.45% inhibition of the enzymatic activity of EGFR kinase was observed, while the inhibition in activity was below 55% in all other kinases. Compound 4 was further tested in a 10-dose IC50 mode and showed IC50 value of 0.239 µM for EGFR kinase. In vivo acute toxicity of this compound was also tested.

    View details for DOI 10.3109/14756366.2014.887707

    View details for Web of Science ID 000347956500023

    View details for PubMedID 24601650

  • New series of benzothiazole and pyrimido[2,1-b]benzothiazole derivatives: synthesis, antitumor activity, EGFR tyrosine kinase inhibitory activity and molecular modeling studies MEDICINAL CHEMISTRY RESEARCH Gabr, M. T., El-Gohary, N. S., El-Bendary, E. R., El-Kerdawy, M. M. 2015; 24 (2): 860?78
  • Synthesis and aggregation-induced emission properties of pyridine and pyridinium analogues of tetraphenylethylene RSC ADVANCES Gabr, M. T., Pigge, F. 2015; 5 (110): 90226?34

    View details for DOI 10.1039/c5ra18724a

    View details for Web of Science ID 000364053500002

  • Synthesis and in vitro antitumor activity of new series of benzothiazole and pyrimido[2,1-b]benzothiazole derivatives EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY Gabr, M. T., El-Gohary, N. S., El-Bendary, E. R., El-Kerdawy, M. M. 2014; 85: 576?92

    Abstract

    New series of benzothiazole and pyrimido[2,1-b]benzothiazole derivatives were synthesized and characterized by analytical and spectrometrical methods (IR, HRMS, (1)H and (13)C NMR). Nineteen of the synthesized compounds were selected by the National Cancer Institute (NCI), USA, to be screened for their antitumor activity at a single dose (10 ?M) against a panel of 60 cancer cell lines. The most active compounds, 4, 6, 10, 14, 17 and 20 were selected for further evaluation at five dose level screening. Compounds 17 (GI50 = 0.44 ?M, TGI = 1.2 ?M and LC50 MG-MID = 6.6 ?M) and 4 (GI50 = 0.77 ?M, TGI = 2.08 ?M and LC50 MG-MID = 11.74 ?M) were proved to be the most active members in this study. 3D and 2D pharmacophoric maps for the structural features of both compounds were studied.

    View details for DOI 10.1016/j.ejmech.2014.07.097

    View details for Web of Science ID 000342859700048

    View details for PubMedID 25127150

  • EGFR tyrosine kinase targeted compounds: in vitro antitumor activity and molecular modeling studies of new benzothiazole and pyrimido[2,1-b]benzothiazole derivatives. EXCLI journal Gabr, M. T., El-Gohary, N. S., El-Bendary, E. R., El-Kerdawy, M. M. 2014; 13: 573?85

    Abstract

    In this study, we illustrate computer aided drug design of new benzothiazole and pyrimido[2,1-b]benzothiazole derivatives as epidermal growth factor receptor tyrosine kinase (EGFR-TK) inhibitors. Compounds 1-5 were screened at NCI, USA, for antitumor activity against non-small cell lung cancer (NCI-H522), colon cancer (HCT-116, HCT-15 and HT29) and breast cancer (MDA-MB-468 and MDA-MB-231/ATCC) cell lines in which EGFR is overexpressed in varying levels. Results indicated that these compounds are more potent antitumor agents compared to erlotinib against HT29 and MDA-MB-231/ATCC cell lines. Compound 3 showed GI50 value of 22.3 nM against NCI-H522 cell line, while erlotinib exhibited GI50 value of 1 µM against the same cell line. In addition, these compounds were studied for their EGFR tyrosine kinase inhibitory activity. Virtual screening utilizing molecular modeling and QSAR techniques enabled the understanding of the pharmacophoric requirements for antitumor activity. Docking the designed compounds into the ATP binding site of EGFR-TK domain was done to predict the analogous binding mode of these compounds to the EGFR-TK inhibitors.

    View details for PubMedID 26417284

    View details for PubMedCentralID PMC4464492

  • Tris(2,2 '-bipyridyl) ruthenium(II) electrochemiluminescence of glyoxal, glyoxylic acid, methylglyoxal, and acetaldehyde ELECTROCHIMICA ACTA Qi, W., Gabr, M., Liu, Z., Hu, L., Han, M., Zhu, S., Xu, G. 2013; 89: 139?43

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