Antimicrobial Photodynamic Therapy with Functionalized Fullerenes: Quantitative Structure-activity Relationships

Antimicrobial Photodynamic Therapy with Functionalized Fullerenes: Quantitative Structure-activity Relationships.

Photosensitive dyes or photo sensitizers (PS) in combination with visible light and oxygen produce reactive oxygen species that kill cells in the process known as photodynamic therapy (PDT). Antimicrobial PDT employs PS that is selective for microbial cells and is a new treatment for infections. Most antimicrobial PS is based on tetrapyrrole or phenothiazinium structures that have been synthesi...

History of Quantitative Structure-Activity Relationships

Nonlinear Prediction of Quantitative Structure-Activity Relationships

Predicting the log of the partition coefficient P is a long-standing benchmark problem in Quantitative Structure-Activity Relationships (QSAR). In this paper we show that a relatively simple molecular representation (using 14 variables) can be combined with leading edge machine learning algorithms to predict logP on new compounds more accurately than existing benchmark algorithms which use comp...

Mereology of Quantitative Structure-Activity Relationships Models

In continuing with the research program initiated by Llored and Harré of exploring the part/whole (mereological) discourses of chemistry, we analyse Quantitative Structure-Activity Relationships (QSAR) studies, which are widespread approaches for modeling substances’ properties. The study is carried out by analyzing a particular QSAR model, and it is found that different mereologies are needed:...

Photodynamic Inactivation of Endopathogenic Microbiota Using Curcumin- mediated Antimicrobial Photodynamic Therapy

Root canal disinfection is one of the main factors governing success of endodontic therapy. Antimicrobial photodynamic therapy (aPDT) is presented as a promising antimicrobial therapy that can eliminate microbiota present in infected root canal systems. In this study, a series of experiments investigated the effects of aPDT on cell viability and biofilm degradation ability of endopathogenic mic...