Structure-activity relationships of antifilarial antimycin analogues: a multivariate pattern recognition study. 1990

D L Selwood, and D J Livingstone, and J C Comley, and A B O'Dowd, and A T Hudson, and P Jackson, and K S Jandu, and V S Rose, and J N Stables
Wellcome Research Laboratories, Park Langley, Beckenham, Kent, U.K.

The structure-activity relationships of a series of novel antifilarial antimycin A1 analogues have been investigated by using computational chemistry and multivariate statistical techniques. The physiochemical descriptors calculated in this way contained information which was useful in the classification of compounds according to their in vitro antifilarial activity. This approach generated a 53 parameter descriptor set, which was reduced with a multivariate pattern recognition package, ARTHUR. Regression analysis of the reduced set yielded several statistically significant regression equations; e.g.-log in vitro activity = 0.017 mp + 0.65 log P - 0.81ESDL10-7.33 (R = 0.9). With use of this equation, it was possible to make predictions for further untested analogues. The analysis indicated that membrane or lipid solubility is an important determinant in biological activity agreeing with the proposed primary mode of action of the compounds as disrupters of cuticular glucose uptake.

UI MeSH Term Description Entries
D008297 Male Males
D012044 Regression Analysis Procedures for finding the mathematical function which best describes the relationship between a dependent variable and one or more independent variables. In linear regression (see LINEAR MODELS) the relationship is constrained to be a straight line and LEAST-SQUARES ANALYSIS is used to determine the best fit. In logistic regression (see LOGISTIC MODELS) the dependent variable is qualitative rather than continuously variable and LIKELIHOOD FUNCTIONS are used to find the best relationship. In multiple regression, the dependent variable is considered to depend on more than a single independent variable. Regression Diagnostics,Statistical Regression,Analysis, Regression,Analyses, Regression,Diagnostics, Regression,Regression Analyses,Regression, Statistical,Regressions, Statistical,Statistical Regressions
D003198 Computer Simulation Computer-based representation of physical systems and phenomena such as chemical processes. Computational Modeling,Computational Modelling,Computer Models,In silico Modeling,In silico Models,In silico Simulation,Models, Computer,Computerized Models,Computer Model,Computer Simulations,Computerized Model,In silico Model,Model, Computer,Model, Computerized,Model, In silico,Modeling, Computational,Modeling, In silico,Modelling, Computational,Simulation, Computer,Simulation, In silico,Simulations, Computer
D004153 Dipetalonema A filarial nematode parasite of mammalian blood with the vector being a tick or small fly. Dipetalonemas
D004154 Dipetalonema Infections Infections with nematodes of the genus DIPETALONEMA. Dipetalonemiasis,Infections, Dipetalonema,Dipetalonema Infection,Dipetalonemiases,Infection, Dipetalonema
D004605 Elephantiasis, Filarial Parasitic infestation of the human lymphatic system by WUCHERERIA BANCROFTI or BRUGIA MALAYI. It is also called lymphatic filariasis. Bancroftian Elephantiasis,Brugian Filariasis,Brugoa malayi Infection,Elephantiasis, Bancroftian,Filarial Elephantiasis,Filariasis, Lymphatic,Lymphatic Filariasis,Wuchereria bancrofti Infection,Bancroftian Filariasis,Elephantiasis, Malayi,Malayi Filariasis,Bancroftian Elephantiases,Bancroftian Filariases,Brugian Filariases,Brugoa malayi Infections,Filarial Elephantiases,Filariasis, Bancroftian,Filariasis, Brugian,Filariasis, Malayi,Infection, Brugoa malayi,Infection, Wuchereria bancrofti,Lymphatic Filariases,Malayi Elephantiases,Malayi Elephantiasis,Malayi Filariases,Wuchereria bancrofti Infections
D005260 Female Females
D005369 Filaricides Pharmacological agents destructive to nematodes in the superfamily Filarioidea.
D005849 Gerbillinae A subfamily of the Muridae consisting of several genera including Gerbillus, Rhombomys, Tatera, Meriones, and Psammomys. Gerbils,Jird,Meriones,Psammomys,Rats, Sand,Gerbil,Jirds,Merione,Rat, Sand,Sand Rat,Sand Rats
D006224 Cricetinae A subfamily in the family MURIDAE, comprising the hamsters. Four of the more common genera are Cricetus, CRICETULUS; MESOCRICETUS; and PHODOPUS. Cricetus,Hamsters,Hamster

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