Anthropod repellent chemicals
a technology of chemical and arthropod repellent, applied in the field of chemical and methods for repelling arthropods, can solve the problems of low use of disease control in africa, health and emergence concerns, and relative cos
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example 1
[0064]The first major limitation to finding effective DEET substitutes was that the molecular targets through which it causes repellence in adult mosquitoes were unknown. Past studies had put forward competing models about mechanisms of DEET action, but demonstration of a causal relationship to repellency was lacking [4, 6-11]. The second major limitation in developing improved repellents is the cost of the screening and development process to find new repellants based on classical screening of existing compounds in trials with mosquito's and proxies for their targets. This is expensive. It has been suggested that >$30M and several years may be required for identification and subsequent human-safety analyses of new repellent chemistries [15]. In a novel breakthrough the inventors developed a powerful cheminformatics descriptor-based prediction algorithm that allowed for digitally screening >400,000 compounds (including 3000 natural compounds) based on the previously described chemin...
example 2
[0066]A list of compounds for inclusion in embodiments of the invention are shown in Table 1 of FIG. 3. These compounds are predicted by novel algorithms of the inventors using the aforementioned parameters and are expected to have arthropod repellent activity. The compounds were identified by a cheminformatics prediction method, as follows:
[0067]In order to identify novel chemicals with repellent properties a chemical informatics method was utilized for identification of select physicochemical descriptors that are correlated with chemical structure showing a specific activity. Using Sequential Forward Selection and a set of Dragon physicochemical descriptors was identified that correlated with repellency values of one set of known repellents. Next, these descriptors were utilized to rank computational distance from 4-methylpiperidine. It was anticipated that this unusual approach would give several classes of chemicals that would be distinct in chemical functional groups and struct...
example 3
[0070]In order to test the repellency prediction rate of the computational approach to find structurally new functional groups of chemicals, ˜15 of these various classes of compounds in Table 1 were randomly selected. These chemicals were tested in behavioral assays to determine percentage success rate of the computational predictions. The three behavior assays and their results are described below and they measured repellency involved 2 species of insects: Drosophila melanogaster and Aedes aegypti. Overall the rate of success for significant repellency to either one of these species is indicated by a negative value for Preference Index (P.I.)
[0071]T-maze assay was used to test selected compounds. 4-7 day old starved wild-type flies of Drosophila melanogaster (20 males plus 20 females / trial) were tested. Under a chemical hood, 10 ul of solvent and 10 ul of test chemical were applied onto filter paper placed in control tubes and test tubes. The flies were loaded into the elevator of ...
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