Clinical data acquired over the last decade on non-small cell lung cancer (NSCLC) treatment with small molecular weight Epidermal Growth Factor Receptor (EGFR) inhibitors have shown significant influence of EGFR point mutations and in-frame deletions on clinical efficacy. Identification of small molecules capable of inhibiting the clinically relevant EGFR mutant forms is desirable, and novel chemical scaffolds might provide knowledge regarding selectivity among EGFR forms and shed light on new strategies to overcome current clinical limitations. Design, synthesis, docking studies and in vitro evaluation of N-(3-(3-phenylureido)quinoxalin-6-yl) acrylamide derivatives (7a-m) against EGFR mutant forms are described. Compounds 7h and 7l were biochemically active in the nanomolar range against EGFRwt and EGFRL858R. Molecular docking and reaction enthalpy calculations have shown the influence of the combination of reversible and covalent binding modes with EGFR on the inhibitory activity. The inhibitory profile of 7h against a panel of patient-derived tumor cell lines was established, demonstrating selective growth inhibition of EGFR related cells at 10 μM among a panel of 30 cell lines derived from colon, melanoma, breast, bladder, kidney, prostate, pancreas and ovary tumors.

Research Article IRJMSA (2017), 1:2 Evaluation of commercial and fresh-picked Origanum vulgare after dehydration Origanum vulgare Lamiaceae is one of the most used condiments in many countries, and is used in the perfume industry and also in folk medicine. To evaluate the composition of this plant due to its heterogeneity, the main objective was analyze origanum in commercial form and fresh picked after treated at different temperatures, using mainly solid-state NMR techniques, as well as FTIR, XRD and TGA were applied, showing possible existence of larger molecules and structures with low molar mass due to difference of mobility presented by molecules. We observed the carbon-13 signals' intensity and the signals detection or not varied according to kind of oregano studied as well as the thermal treatment temperature. The techniques are efficient in determining the compounds present in such heterogeneous material, although they are difficult to apply. The HR-MAS confirmed the existence of major compounds such as water, fixed oils, terpenes and polysaccharides.

Nuclear magnetic resonance is a spectroscopic that permits analyzing samples by both solution and solid state. From solution and solid state NMR it is possible to obtain a good deal of information on sample molecular structure and dynamics, respectively. Plant extracts are often analyzed by solution NMR due to the complex compositions. The use of solid state, employing low-field NMR, such as spin-lattice relaxation time, gives response on the molecular dynamics. In this study, Bauhinia forficata parts and their extracts were evaluated to obtain tea with better properties to the health quality. Solution NMR techniques and relaxometry were used to evidence the therapeutic effects of this plant on diabetes, according to its chemical constitution. Studies revealed that its effectiveness is due to the presence of several classes of compounds as terpenes and flavonoids. The relaxometry was effective in characterizing the domains formed after the introduction of sugar in the tea.

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