Abstract Distinctive chemical signatures have the potential to serve as discriminatory cues for olfactory recognition mechanisms. Cuticular hydrocarbon (CHC) profiles are among most prominent in insects that can be highly diverse even closely related species and between populations with similar ecology. Particularly within major insect order Hymenoptera, CHC characterized by high complexity var...

Kappa-opioid (KOP) receptor agonists exhibit analgesic effects without activating reward pathways. In the search for nonaddictive opioid therapeutics and novel chemical tools to study physiological functions regulated by the KOP receptor, we screened in silico its recently released inactive crystal structure. A selective novel KOP receptor agonist emerged as a notable result and is proposed as ...

Recently, we identified a thiocarbazate that exhibits potent inhibitory activity against human cathepsin L. Since this structure represents a novel chemotype with potential for activity against the entire cysteine protease family, we designed, synthesized, and assayed a series of analogs to probe the mechanism of action, as well as the structural requirements for cathepsin L activity. Molecular...

There is an increasing need for natural compounds pest control and food preservation in agriculture, dairy industries. To satisfy this need, essential oils (EOs) from aromatic plants can serve as flavors, preservatives ecofriendly pesticides. This study investigated the potential of different EOs field-collected leaves fourteen Zataria multiflora Boiss. populations representing three chemotypes...

the severe epidemics of fusarium head blight (fhb) as a devastating disease of cereal crops has occurred on wheat in north and northwest iran in recent years. the in vitro production of deoxynivalenol (don) was qualitatively evaluated in 41 fusarium isolates collected from wheat heads associated with the scab disease, in moghan area/northwest iran. infected wheat heads were collected during 200...

The generation of a small and representative library of 3,5,8-trisubstituted coumarins (21 compounds, 7 families, 3 groups) is described. The library was built from the corresponding propargyl vinyl ethers and three different 1,3-dicarbonyl derivatives using a one-pot coupled domino strategy. These coumarins constitute a novel chemotype defined by the presence of a chemical handle in the pyrano...

The characterization of essential oils of Mentha aquatica L grown in two Provinces of Vietnam was performed by means of gas chromatography-flame ionization detector (GC-FID) and gas chromatography-mass spectrometry (GC-MS) techniques. The major constituents of the essential oils were epi-bicyclosesquiphellandrene (58.9% and 52.4% respectively) and limonene (21.1% and 31.4% respectively) for Tha...

Target identification is a core challenge in chemical genetics. Here we use chemical similarity to computationally predict the targets of 586 compounds that were active in a zebrafish behavioral assay. Among 20 predictions tested, 11 compounds had activities ranging from 1 nM to 10,000 nM on the predicted targets. The roles of two of these targets were tested in the original zebrafish phenotype...