Effect of cholecalciferol on unsaturated model membranes

Devarajan, Aarthi R.; Kim, Yeu‐Chun; Isakovic, A. F.; Gater, Deborah L.

doi:10.1016/j.chemphyslip.2021.105058

Cited by 2 publications

(2 citation statements)

References 43 publications

(44 reference statements)

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“… 11 However, a detailed review of this area is beyond the scope of this article. The present work may be seen to complement previous studies that have investigated the properties of VitD-containing lipid systems 12 , 13 and studies reviewed in. 14 …”

Section: Introductionsupporting

confidence: 60%

Phase Heterogeneity in Cholesterol-Containing Ternary Phospholipid Lamellar Phases

et al. 2023

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Pseudo-ternary mixtures of lamellar phase phospholipids (DPPC and brain sphingomyelin with cholesterol) were studied below T m while comparing the influence of cholesterol content, temperature, and the presence of small quantities of vitamin D binding protein (DBP) or vitamin D receptor (VDR). The measurements, conducted by X-ray diffraction (XRD) and nuclear magnetic resonance (NMR), cover a range of cholesterol concentrations (20% mol. wt to 40% mol. wt.) and physiologically relevant temperature range (294–314 K). In addition to rich intraphase behavior, data and modeling are used to approximate the lipids’ headgroup location variations under the abovementioned experimental conditions.

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Section: Introductionsupporting

confidence: 60%

Phase Heterogeneity in Cholesterol-Containing Ternary Phospholipid Lamellar Phases

et al. 2023

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“…Histamine [138,393,407] Hormones Testosterone [132,408], Levothyroxine [409], Resolvins [410], Progesterone [326,327] Vitamins D2, D3 [411,412] Alcohols and product of fermentation…”

Section: Antioxidantsmentioning

confidence: 99%

Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design

2021

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We review the use of molecular dynamics (MD) simulation as a drug design tool in the context of the role that the lipid membrane can play in drug action, i.e., the interaction between candidate drug molecules and lipid membranes. In the standard “lock and key” paradigm, only the interaction between the drug and a specific active site of a specific protein is considered; the environment in which the drug acts is, from a biophysical perspective, far more complex than this. The possible mechanisms though which a drug can be designed to tinker with physiological processes are significantly broader than merely fitting to a single active site of a single protein. In this paper, we focus on the role of the lipid membrane, arguably the most important element outside the proteins themselves, as a case study. We discuss work that has been carried out, using MD simulation, concerning the transfection of drugs through membranes that act as biological barriers in the path of the drugs, the behavior of drug molecules within membranes, how their collective behavior can affect the structure and properties of the membrane and, finally, the role lipid membranes, to which the vast majority of drug target proteins are associated, can play in mediating the interaction between drug and target protein. This review paper is the second in a two-part series covering MD simulation as a tool in pharmaceutical research; both are designed as pedagogical review papers aimed at both pharmaceutical scientists interested in exploring how the tool of MD simulation can be applied to their research and computational scientists interested in exploring the possibility of a pharmaceutical context for their research.

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Effect of cholecalciferol on unsaturated model membranes

Cited by 2 publications

References 43 publications

Phase Heterogeneity in Cholesterol-Containing Ternary Phospholipid Lamellar Phases

Phase Heterogeneity in Cholesterol-Containing Ternary Phospholipid Lamellar Phases

Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design

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