Discovery of a novel HCV helicase inhibitor by a de novo drug design approach.

Herein we report a successful application of a computer-aided design approach to identify a novel HCV helicase inhibitor. A de novo drug design methodology was used to generate an initial set of structures that could potentially bind to a putative binding site. Further structure refinement was carried out through docking a series of focused virtual libraries. The most promising compound was synthesised and it exhibited a submicromolar inhibition of the HCV helicase.

Microplastic sampling with the AVANI trawl compared to two neuston trawls in the Bay of Bengal and South Pacific.

Many typical neuston trawls can only be used during relatively calm sea states and slow tow speeds. During two expeditions to the Bay of Bengal and the eastern South Pacific we investigated whether the new, high-speed AVANI trawl (All-purpose Velocity Accelerated Net Instrument) collects similar amounts and types of microplastics as two established scientific trawl designs, the manta trawl and the DiSalvo neuston net. Using a 335 µm net, the AVANI trawl can collect microplastics from the sea surface at speeds up to 8 knots as it "skis" across the surface, whereas the manta and DiSalvo neuston trawls must be towed slowly in a less turbulent sea state and often represent shorter tow lengths. Generally, the AVANI trawl collected a greater numerical abundance and weight of plastic particles in most size classes and debris types than the manta trawl and DiSalvo neuston net, likely because these trawls only skim the surface layer while the AVANI trawl, moving vertically in a random fashion, collects a "deeper" sample, capturing the few plastics that float slightly lower in the water column. However, the samples did not differ enough that results were significantly affected, suggesting that studies done with these different trawls are comparable. The advantage of the AVANI trawl over traditional research trawls is that it allows for collection on vessels underway at high speeds and during long transits, allowing for a nearly continuous sampling effort over long distances. As local surface currents make sea surface abundance widely heterogeneous, widely spaced short-tow trawls, such as the manta and DiSalvo trawls, can catch or miss hotspots or meso-scale variability of microplastic accumulations, whereas the AVANI trawl, if utilized for back-to-back tows of intermediate distances (5-10 km), can bridge variable wind conditions and debris concentrations potentially reducing variance and provide a greater resolution of spatial distribution.

Plastic pollution in the South Pacific subtropical gyre.

Plastic marine pollution in the open ocean of the southern hemisphere is largely undocumented. Here, we report the result of a (4489 km) 2424 nautical mile transect through the South Pacific subtropical gyre, carried out in March-April 2011. Neuston samples were collected at 48 sites, averaging 50 nautical miles apart, using a manta trawl lined with a 333 µm mesh. The transect bisected a predicted accumulation zone associated with the convergence of surface currents, driven by local winds. The results show an increase in surface abundance of plastic pollution as we neared the center and decrease as we moved away, verifying the presence of a garbage patch. The average abundance and mass was 26,898 particles km(-2) and 70.96 g km(-2), respectively. 88.8% of the plastic pollution was found in the middle third of the samples with the highest value of 396,342 particles km(-2) occurring near the center of the predicted accumulation zone.