COMPUTER-AIDED LEAD OPTIMIZATION: IMPROVED SMALL-MOLECULE INHIBITOR OF THE ZINC ENDOPEPTIDASE OF BOTULINUM NEUROTOXIN SEROTYPE A.

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 multi

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Heterogeneity in patterns of helminth infections across populations of mountain gorillas (Gorilla beringei beringei)

Abstract Conservation efforts have led to the recovery of the endangered mountain gorilla populations.Due to their limited Blunt Wraps potential for spatial expansion, population densities increased, which may alter the epidemiology of infectious diseases.Recently, clinical gastrointestinal illnesses linked to helminth infections have been recorded

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