Computational Modelling of the Steps Involved in Photodynamic Therapy

Paterson, Martin J.; Bergendahl, L. Therese

doi:10.5772/37654

Cited by 1 publication

(1 citation statement)

References 75 publications

(12 reference statements)

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“…One of the main challenges for the rational design of efficient PSs arise precisely from the fact that the electronically excited states (singlet, triplet and reactive intermediates) of the photoactive agent causes cell toxicity [74,75]. This prompts the use of complex, computing-demanding high level Quantum Chemistry approaches for dealing with excited states [76-81]. Such in silico modeling, in combination with photophysical experimental studies are required for rationally tuning the desired properties of the PSs including dark toxicity, molar absorption coefficient, absorption wavelength, singlet-triplet intersystem crossing quantum yield and forthcoming singlet oxygen generation and probably also the study of open sheel species (radical cations in case of phototoxicity in the absence of oxygen) [82-84].…”

Section: Introductionmentioning

confidence: 99%

Microbial Efflux Systems and Inhibitors: Approaches to Drug Discovery and the Challenge of Clinical Implementation

Kourtesi¹,

Ball²,

Huang³

et al. 2013

TOMICROJ

135

103

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Conventional antimicrobials are increasingly ineffective due to the emergence of multidrug-resistance among pathogenic microorganisms. The need to overcome these deficiencies has triggered exploration for novel and unconventional approaches to controlling microbial infections. Multidrug efflux systems (MES) have been a profound obstacle in the successful deployment of antimicrobials. The discovery of small molecule efflux system blockers has been an active and rapidly expanding research discipline. A major theme in this platform involves efflux pump inhibitors (EPIs) from natural sources. The discovery methodologies and the available number of natural EPI-chemotypes are increasing. Advances in our understanding of microbial physiology have shed light on a series of pathways and phenotypes where the role of efflux systems is pivotal. Complementing existing antimicrobial discovery platforms such as photodynamic therapy (PDT) with efflux inhibition is a subject under investigation. This core information is a stepping stone in the challenge of highlighting an effective drug development path for EPIs since the puzzle of clinical implementation remains unsolved. This review summarizes advances in the path of EPI discovery, discusses potential avenues of EPI implementation and development, and underlines the need for highly informative and comprehensive translational approaches.

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