Simulation study of domain formation in a model bacterial membrane

Gupta, Shivam; Mandal, Taraknath

doi:10.1039/d2cp01873j

Cited by 6 publications

(2 citation statements)

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“…We use the MARTINI (version 2.2) forcefield 64,65 for our coarse-grained simulations, which has been used extensively for studying protein-membrane interactions. [65][66][67][68] The atomistic structure of the ENTH domain is converted to the coarsegrained structure using the martinize.py script provided in the MARTINI website. A single ENTH domain is placed on top of a coarse-grained POPC bilayer composed of 2000 lipids.…”

Section: Atomistic Simulationsmentioning

confidence: 99%

Simulation study of membrane bending by protein crowding: a case study with the epsin N-terminal homology domain

Mandal¹,

Gupta²,

Soni³

2023

Soft Matter

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Section: Atomistic Simulationsmentioning

confidence: 99%

Simulation study of membrane bending by protein crowding: a case study with the epsin N-terminal homology domain

Mandal¹,

Gupta²,

Soni³

2023

Soft Matter

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“…This triplet excitation phenomenon occurs with significant efficiency in carotenoids, particularly those prone to aggregation within cell membranes [39]. Earlier studies suggested that STX molecules within the S. aureus membrane are organized into functional membrane microdomains (FMMs), which both structurally and functionally resemble the lipid rafts commonly found in eukaryotic cells [40]. These embedded STX FMMs not only play a pivotal role in enhancing membrane permeability and fluidity within the S. aureus pathogen but also serve as crucial anchor points and assembly platforms for various protein complexes responsible for the observed antibiotic resistance mechanisms in MRSA, including the penicillin-binding protein (PBP2a) [41].…”

Section: Photolysis Of Endogenous Pigments Reduces the Virulence Of C...mentioning

confidence: 99%

Chromophore-Targeting Precision Antimicrobial Phototherapy

Jusuf,

Dong

2023

Cells

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Phototherapy, encompassing the utilization of both natural and artificial light, has emerged as a dependable and non-invasive strategy for addressing a diverse range of illnesses, diseases, and infections. This therapeutic approach, primarily known for its efficacy in treating skin infections, such as herpes and acne lesions, involves the synergistic use of specific light wavelengths and photosensitizers, like methylene blue. Photodynamic therapy, as it is termed, relies on the generation of antimicrobial reactive oxygen species (ROS) through the interaction between light and externally applied photosensitizers. Recent research, however, has highlighted the intrinsic antimicrobial properties of light itself, marking a paradigm shift in focus from exogenous agents to the inherent photosensitivity of molecules found naturally within pathogens. Chemical analyses have identified specific organic molecular structures and systems, including protoporphyrins and conjugated C=C bonds, as pivotal components in molecular photosensitivity. Given the prevalence of these systems in organic life forms, there is an urgent need to investigate the potential impact of phototherapy on individual molecules expressed within pathogens and discern their contributions to the antimicrobial effects of light. This review delves into the recently unveiled key molecular targets of phototherapy, offering insights into their potential downstream implications and therapeutic applications. By shedding light on these fundamental molecular mechanisms, we aim to advance our understanding of phototherapy’s broader therapeutic potential and contribute to the development of innovative treatments for a wide array of microbial infections and diseases.

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