From biomedicinal to in silico models and back to therapeutics : a review on the advancement of peptidic modeling

Bioactive peptides participate in numerous metabolic functions of living organisms and have emerged as potential therapeutics on a diverse range of diseases. Albeit peptide design does not go without challenges, overwhelming advancements on in silico methodologies have increased the scope of peptide-based drug design and discovery to an unprecedented amount. Within an in silico model versus an experimental validation scenario, this review aims to summarize and discuss how different in silico techniques contribute at present to the design of peptide-based molecules. Published in silico results from 2014 to 2018 were selected and discriminated in major methodological groups, allowing a transversal analysis, promoting a landscape vision and asserting its increasing value in drug design.

Medienart:

E-Artikel

Erscheinungsjahr:

2019

Erschienen:

2019

Enthalten in:

Zur Gesamtaufnahme - volume:11

Enthalten in:

Future medicinal chemistry - 11(2019), 17 vom: 15. Sept., Seite 2313-2331

Sprache:

Englisch

Beteiligte Personen:

Moura, Ana S [VerfasserIn]
Halder, Amit K [VerfasserIn]
Ds Cordeiro, M Natália [VerfasserIn]

Links:

Volltext

Themen:

Docking
Homology model
Journal Article
Ligands
Molecular dynamics
Peptide design
Peptides
Pharmacophore mapping
QSAR
Review

Anmerkungen:

Date Completed 30.06.2020

Date Revised 30.06.2020

published: Print

Citation Status MEDLINE

doi:

10.4155/fmc-2018-0365

funding:

Förderinstitution / Projekttitel:

PPN (Katalog-ID):

NLM301891680