Abstract
Candida albicans is a pathogenic opportunistic yeast found in the human gut flora. It may also live outside of the human body, causing diseases ranging from minor to deadly. Candida albicans begins as a budding yeast that can become hyphae in response to a variety of environmental or biological triggers. The hyphae form is responsible for the development of multidrug resistant biofilms, despite the fact that both forms have been associated to virulence Here, we have proposed a linear and SPA-linear quantitative structure activity relationship (QSAR) modeling and prediction of Candida albicans inhibitors. A data set that consisted of 60 derivatives of benzoxazoles, benzimidazoles, oxazolo (4, 5-b) pyridines have been used. In this study, that after applying the leverage analysis method to detect outliers’ molecules, the total number of these compounds reached 55. SPA-MLR model shows superiority over the multiple linear regressions (MLR) by accounting 90% of the Q 2 of anti-fungus derivatives ‘activity. This paper focuses on investigating the role of SPA-MLR in developing model. The accuracy of SPA-MLR model was illustrated using leave-one-out (LOO). The mean effect of descriptors and sensitivity analysis show that RDF090u is the most important parameter affecting the as behavior of the inhibitors of Candida albicans.
Highlights
Despite significant advances in medicinal chemistry, infectious illnesses caused by fungi continue to be a major danger to public health
The major purpose of this study was to use SPA to select variables for multiple linear regressions (MLR) modeling by developing a quantitative structure activity relationship (QSAR) model to estimate the activity parameter of compounds depicted in Figure 1 as Candida albicans inhibitors
This study investigates the role of SPAMLR, which has received little attention from scholars
Summary
Despite significant advances in medicinal chemistry, infectious illnesses caused by fungi continue to be a major danger to public health. Despite the discovery of several successful antifungal medications over the last 3 decades, there are still unknown molecules with the properties needed to treat systemic yeast infections. Miconazole and clotrimazole (Brincker, 1976; Smith, 1976; Rippon, 1982) are imidazole compounds that have demonstrated good clinical efficacy in dermatophytoses and nonsystemic candidiasis. Systemic miconazole usage has been linked to reversible thrombocytosis and anemia, whereas clotrimazole use has been linked to severe gastrointestinal problems. 2-(4-thiazolyl) benzimidazole (I) (thiabendazole)is another imidazole derivative with high clinical effectiveness in the treatment of dermatophytic infections in tropical areas. Since thiabendazole was shown to be useful in the treatment of a number of helmintic illnesses, a number of benzimidazole compounds have been tested for anti-infective properties. Since thiabendazole was shown to be useful in the treatment of a number of helmintic illnesses, a number of benzimidazole compounds have been tested for anti-infective properties. kThe most thoroughly investigated of these chemicals is 2(a-hydroxybenzyl) benzimidazole (II) (HBB), which is a specific inhibitor of RNA-containing Enteroviruses
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
