Combination of docetaxel and newly synthesized 9-Br-trimethoxybenzyl-noscapine improve tubulin binding and enhances antitumor activity in breast cancer cells.
Anti-tumour activity
BTN
Combination drug therapy
DOX
Molecular docking
Tubulin binding affinity
Journal
Computers in biology and medicine
ISSN: 1879-0534
Titre abrégé: Comput Biol Med
Pays: United States
ID NLM: 1250250
Informations de publication
Date de publication:
12 2021
12 2021
Historique:
received:
02
10
2021
revised:
24
10
2021
accepted:
25
10
2021
pubmed:
10
11
2021
medline:
4
2
2022
entrez:
9
11
2021
Statut:
ppublish
Résumé
To strategically design and frame the novel 9-Br-Trimethoxybenzyl noscapine (BTN) with rigorous binding affinity with tubulin, the structure of noscapine (an antitussive plant alkaloid) was amended with a 3,4,5-trimethoxybenzyl group linked at the seventh position on the lower isobenzofuran unit. Molecular modelling and cellular studies were used to assess the single and combined effects of BTN and docetaxel (DOX). Based on MM-GBSA, the individual calculated free energies of binding (ΔG
Identifiants
pubmed: 34753081
pii: S0010-4825(21)00790-3
doi: 10.1016/j.compbiomed.2021.104996
pii:
doi:
Substances chimiques
Antineoplastic Agents
0
Tubulin
0
Docetaxel
15H5577CQD
Noscapine
8V32U4AOQU
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
104996Informations de copyright
Copyright © 2021. Published by Elsevier Ltd.