Applications of Molecular Dynamic Simulations in Lipid-Based Drug Delivery System

Singh, Dilpreet; Mahajan, Sundar; Singh, Gurdeep; Razdan, Karan

doi:10.1089/adt.2020.986

Cited by 3 publications

(1 citation statement)

References 14 publications

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“…With some advances in membrane based hormones and various eicosanoids studies, this view is changing, and now the membrane is also seen as a place of direct interaction either as a target or cofactor. In many cases the ability to deliver a biologic, especially in the growing field of genetic manipulation, combines surface protein–membrane interactions and internal membranes such as endosomes, lysosomes or phagocytic membrane processes which change initial states [ 41 ]. Secondary membranes have only recently become more of a focus, as both secondary effects and direct targeting for designed products.…”

Section: Introductionmentioning

confidence: 99%

Current Trends and Changes in Use of Membrane Molecular Dynamics Simulations within Academia and the Pharmaceutical Industry

Watkins

2023

Membranes

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There has been an almost exponential increase in the use of molecular dynamics simulations in basic research and industry over the last 5 years, with almost a doubling in the number of publications each year. Many of these are focused on neurological membranes, and biological membranes in general, applied to the medical industry. A smaller portion have utilized membrane simulations to answer more basic questions related to the function of specific proteins, chemicals or biological processes. This review covers some newer studies, alongside studies from the last two decades, to determine changes in the field. Some of these are basic, while others are more profound, such as multi-component embedded membrane machinery. It is clear that many facets of the discipline remain the same, while the focus on and uses of the technology are broadening in scope and utilization as a general research tool. Analysis of recent literature provides an overview of the current methodologies, covers some of the recent trends or advances and tries to make predictions of the overall path membrane molecular dynamics will follow in the coming years. In general, the overview presented is geared towards the general scientific community, who may wish to introduce the use of these methodologies in light of these changes, making molecular dynamic simulations more feasible for general scientific or medical research.

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Section: Introductionmentioning

confidence: 99%

Current Trends and Changes in Use of Membrane Molecular Dynamics Simulations within Academia and the Pharmaceutical Industry

Watkins

2023

Membranes

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Simulation-based approaches for drug delivery systems: Navigating advancements, opportunities, and challenges

Salahshoori,

Golriz,

Nobre

et al. 2024

Journal of Molecular Liquids

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Big Data to Expand the Antimicrobial Therapeutic Arsenal

Tarín-Pelló¹,

Suay-García

Falcó

et al. 2024

Encyclopedia of Information Science and Technology, Sixth Edition

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The current big data era has vast amounts of biomedical data that present great interest in processes related to the search of new drugs. Due to the information available in open access databases, many efforts have been directed towards the application of in silico discovery strategies aimed at drug discovery and drug repurposing. These approaches could be useful in finding solutions for antimicrobial resistance, which already causes 700,000 deaths every year. Mathematical prediction models provide a time- and cost-effective solution to this global health threat, as they save all the resources necessary for the development of the molecule. The literature provides computational techniques that have been successfully used in the discovery and repurposing of drugs. For this reason, the aim of this article is to present the different types of prediction models that have been used for the discovery and repurposing of new antimicrobial drugs and to prove the efficiency of these strategies to provide new molecules and therapeutic opportunities to drugs found in biomedical datasets.

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Applications of Molecular Dynamic Simulations in Lipid-Based Drug Delivery System

Cited by 3 publications

References 14 publications

Current Trends and Changes in Use of Membrane Molecular Dynamics Simulations within Academia and the Pharmaceutical Industry

Current Trends and Changes in Use of Membrane Molecular Dynamics Simulations within Academia and the Pharmaceutical Industry

Simulation-based approaches for drug delivery systems: Navigating advancements, opportunities, and challenges

Big Data to Expand the Antimicrobial Therapeutic Arsenal

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