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Habitat equivalency analysis (HEA) is one of the methods commonly used by U. S. National Oceanic and Atmospheric Administration in natural resources damage assessment, but rarely applied in China. Based on the theory of HEA and the assessment practices of domestic oil spill incidents, a modification on the HEA was made in this paper, and applied to calculate the habitat value in oil spill incidents. According to the data collected from an oil spill incident in China, the modified HEA was applied in a case study to scale the compensatory-restoration. By introducing the ecological service equivalent factor to transfer various habitats, it was achieved to value of the injured habitats in ecological damage assessment of oil spill incident. [ABSTRACT FROM AUTHOR]

Abstract: A predictive pharmacophore model has been generated from a series of diverse fatty acid amide hydrolase (FAAH) inhibitors and the optimal pharmacophore model applied in virtual screening. The pharmacophore model was based on a training set of 21 compounds carefully selected from the published literatures. The optimal model Hypo-1 included four features (two hydrogen-bond acceptor units, one aromatic hydrophobic unit and one aromatic ring unit) and two excluded volumes. Cross-validation of the model confirmed that Hypo-1 was not generated by chance correlation. A large test set of 55 compounds showed that Hypo-1 performed well in classifying highly active and less active FAAH inhibitors. Superimposition analysis of the FAAH X-ray crystal structure and the pharmacophore Hypo-1 further validated the adequacy of the model. Virtual screening generated a total of 976 hits from the Zinc Natural Products database, a hit rate of 1.04% and enrichment of 83.89. The acceptable hit rate further supports the use of Hypo-1 as a 3D query tool for virtual screening. [Copyright &y& Elsevier]

Non-small cell lung cancer (NSCLC) patients with activating epidermal growth factor receptor (EGFR) mutations initially respond well to the EGFR tyrosine kinase inhibitors (TKIs) erlotinib and gefitinib. However, clinical efficacy is limited by the development of resistance. In most cases, this resistance is in the form of the T790M mutation. Here, we report the design, synthesis and biochemical evaluation of a novel series of irreversible EGFR tyrosine kinase inhibitors (EGFR-TKIs) that are derived from the anilinoquinazoline scaffold. Guided by molecular modeling, this series of analogs was evolved to target a cysteine residue in the ATP binding site via covalent bond formation and to achieve high levels of anti-tumor activity in cell cultures and in xenografts. The most promising compound 13c ((E) -N - (4 - (4 - (3-fluorobenzyloxy) -3- chlorophenylamino) -7-ethoxyquinazolin-6-yl) -3- ((S) -pyrrolidin-2-yl)acrylamide, which we named Transtinib) displayed strong anti-proliferative activity against the H1975 and A431 cell lines with IC50 values of 34 nM and 62 nM, respectively. In xenograft models, Transtinib significantly decreases tumor size for a prolonged period of time. These results suggest that Transtinib is a potential cancer therapeutic drug lead for the inhibition of mutant EGFR to overcome the development of resistance., Competing Interests: The authors declare no conflicts of interest.

Pale-yellow crystals of the title compound, C(10)H(9)NO, have been obtained by the reaction of benzyl-amine and methyl propiolate. Weak inter-molecular hydrogen bonding is observed between acetyl-enic H and carbonyl O atoms. The crystal packing is stabilized by these C-H⋯O and by N-H⋯O inter-molecular hydrogen-bonding inter-actions.