The landscape ecology of Lyme disease was studied in 1989 on 67 residences in an endemic area of Armonk, Westchester County, a northern suburb of New York City. Four main habitat types were defined, and each property was surveyed for immature and adult lxodes dammini ticks; 98.6% of 1,790 ticks collected were I. dammini. Overall, 67.3% were collected from woods, 21.6% from ecotone (unmaintained edge), 9.1% from ornamental vegetation, and 2% from lawns. Larval ticks were concentrated in woods, but nymphs and adults were widely dispersed in all habitats. Tick abundance was positively correlated with property size. Larger properties (greater than or equal to 0.5 acre) were more likely to have woodlots and, hence, more ticks. Dark-field and direct fluorescent microscopic examination of tick midgut tissues revealed that 29.6% of nymphs and 49.7% of adults were infected with Borrelia burgdorferi. Infected nymphs and adults were found on 36% and 60% of properties, respectively. These data indicate that the abundance of ticks capable of transmitting Lyme disease spirochetes is related to landscape features of the suburban residential environment.
Analogues of the compound 2,5-di-tert-butylhydroquinone (BHQ) are capable of inhibiting the enzyme sarco/endoplasmic reticulum ATPase (SERCA) in the low micromolar and submicromolar concentration ranges. Not only are SERCA inhibitors valuable research tools, but they also have potential medicinal value as agents against prostate cancer. This study describes the synthesis of thirteen compounds representing several classes of BHQ analogues, such as hydroquinones with a single aromatic substituent, symmetrically and unsymmetrically disubstituted hydroquinones, and hydroquinones with ω-amino acid tethers attached to their hydroxyl groups. Structure-activity relationships were established by measuring the inhibitory potencies of all synthesized compounds in bioassays. The assays were complemented by computational ligand docking for an analysis of the relevant ligand/receptor interactions.
Two screening protocols based on recursive partitioning and computational ligand docking methodologies, respectively, were employed for virtual screens of a compound library with 345,000 entries for novel inhibitors of the enzyme sarco/endoplasmic reticulum calcium ATPase (SERCA), a potential target for cancer chemotherapy. A total of 72 compounds that were predicted to be potential inhibitors of SERCA were tested in bioassays and 17 displayed inhibitory potencies at concentrations below 100 µM. The majority of these inhibitors were composed of two phenyl rings tethered to each other by a short link of one to three atoms. Putative interactions between SERCA and the inhibitors were identified by inspection of docking-predicted poses and some of the structural features required for effective SERCA inhibition were determined by analysis of the classification pattern employed by the recursive partitioning models.
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