Molecular Modeling-Guided Design of Phospholipid-Based Prodrugs.
drug delivery
in-silico
molecular biopharmaceutics
molecular docking
molecular dynamics
phospholipase A2
phospholipid
prodrugs
Journal
International journal of molecular sciences
ISSN: 1422-0067
Titre abrégé: Int J Mol Sci
Pays: Switzerland
ID NLM: 101092791
Informations de publication
Date de publication:
05 May 2019
05 May 2019
Historique:
received:
04
04
2019
revised:
29
04
2019
accepted:
01
05
2019
entrez:
8
5
2019
pubmed:
8
5
2019
medline:
23
8
2019
Statut:
epublish
Résumé
The lipidic prodrug approach is an emerging field for improving a number of biopharmaceutical and drug delivery aspects. Owing to their structure and nature, phospholipid (PL)-based prodrugs may join endogenous lipid processing pathways, and hence significantly improve the pharmacokinetics and/or bioavailability of the drug. Additional advantages of this approach include drug targeting by enzyme-triggered drug release, blood-brain barrier permeability, lymphatic targeting, overcoming drug resistance, or enabling appropriate formulation. The PL-prodrug design includes various structural modalities-different conjugation strategies and/or the use of linkers between the PL and the drug moiety, which considerably influence the prodrug characteristics and the consequent effects. In this article, we describe how molecular modeling can guide the structural design of PL-based prodrugs. Computational simulations can predict the extent of phospholipase A
Identifiants
pubmed: 31060339
pii: ijms20092210
doi: 10.3390/ijms20092210
pmc: PMC6538990
pii:
doi:
Substances chimiques
Antigens, Human Platelet
0
Phospholipids
0
Prodrugs
0
human platelet antigen 1b
0
Types de publication
Journal Article
Langues
eng
Subventions
Organisme : United States - Israel Binational Science Foundation
ID : 2015365
Déclaration de conflit d'intérêts
The authors declare no conflict of interest. The funders had no role in the design of the study; in the collection, analyses, or interpretation of data; in the writing of the manuscript, or in the decision to publish the result.
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