Computer-aided lead optimization: improved small-molecule inhibitor of the zinc endopeptidase of botulinum neurotoxin serotype A.

Optimization of a serotype-selective, small-molecule inhibitor of botulinum neurotoxin serotype A (BoNTA) endopeptidase is a formidable challenge because the enzyme-substrate interface is unusually large and the endopeptidase itself is a large, zinc-binding protein with a complex fold that is difficult to simulate computationally.We conducted grand

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Extracts of Knoxia roxburghii (Spreng.) M. A. Rau Induce Apoptosis in Human MCF-7 Breast Cancer Cells via Mitochondrial Pathways

Knoxia roxburghii (Spreng.) M.A.Rau (KR) is a plant clinically used in traditional Chinese medicine (TCM) for the treatment of cancer.The study objectives were to examine the effects of KR extracts, petroleum ether (PET), ethyl acetate (EtoAc), butanol (n-BuOH), and H2O-soluble fractions (HSF) of the 75% EtOH extraction on A549 (non-small cell lung

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Determination of Recharge Areas That Supply Decades Old Groundwater to Creeks Inhabited by the Threatened Okaloosa Darter

The Okaloosa darter (Etheostoma okaloosae) is a diminutive, bar drain board perch-like, benthic fish that inhabits only six small, clear, and shallow creek systems that flow almost entirely within Eglin Air Force Base in the panhandle of northwest Florida.Listed as Endangered by the U.S.Fish and Wildlife Service (USFWS) in 1973, improvements in ero

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Experimental Study of Erosion Prevention Model by Bio-Cement Sand

Microbially induced carbonate precipitation swisse high strength magnesium powder berry (MICP) technology is employed to reinforce the surface soil of a dam, aiming to prevent erosion caused by water flow and damage to the dam slope.The relationship between penetration depth, calcium carbonate content, and bonding depth was investigated at eight me

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A Distributed Strategy for Cooperative Autonomous Robots Using Pedestrian Behavior for Multi-Target Search in the Unknown Environment

Searching multiple targets with swarm robots is a realistic here and significant problem.The goal is to search the targets in the minimum time while avoiding collisions with other robots.In this paper, inspired by pedestrian behavior, swarm robotic pedestrian behavior (SRPB) was proposed.It considered many realistic constraints in the multi-target

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