QSAR study of mosquito repellents using Codessa Pro

Alan R. Katritzky; Dimitar A. Dobchev; Indrek Tulp; Mati Karelson; David A. Carlson

doi:10.1016/j.bmcl.2005.11.113

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QSAR study of mosquito repellents using Codessa Pro

Journal article

Peer reviewed

QSAR study of mosquito repellents using Codessa Pro

Alan R. Katritzky, Dimitar A. Dobchev, Indrek Tulp, Mati Karelson and David A. Carlson

Bioorganic & medicinal chemistry letters, Vol.16(8), pp.2306-2311

15/04/2006

DOI: https://doi.org/10.1016/j.bmcl.2005.11.113

PMID: 16488605

Abstract

DEET

Mosquito repellents

Multilinear regression

QSAR

Vapor pressure

A QSAR treatment has been applied to a data set consists of 31 protection times for the repellents. A good 4-parameter model was found including the vapor pressure as external descriptor. Protection times provided by 31 synthetic repellents against Aedes aegypti mosquitoes were correlated with the chemical structures of these repellents using Codessa Pro software. Two statistically significant quantitative models with R 2 values of ca. 0.80 are presented and discussed.

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Title: QSAR study of mosquito repellents using Codessa Pro
Creators - without role: Alan R. Katritzky - University of Florida
Dimitar A. Dobchev - University of Florida
Indrek Tulp - University of Florida
Mati Karelson - Tallinn University of Technology
David A. Carlson - Center for Medical, Agricultural and Veterinary Entomology
Publication Details: Bioorganic & medicinal chemistry letters, Vol.16(8), pp.2306-2311
Publisher: Elsevier Ltd
Identifiers: 9939347308331
Academic Unit: King Abdulaziz University
Language: English
Resource Type: Journal article