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A drug design strategy based on molecular docking and molecular dynamics simulations applied to deve...

A drug design strategy based on molecular docking and molecular dynamics simulations applied to deve...

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_plos_journals_2876444732

A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivatives

About this item

Full title

A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivatives

Publisher

San Francisco: Public Library of Science

Journal title

PloS one, 2023-10, Vol.18 (10), p.e0283271-e0283271

Language

English

Formats

Publication information

Publisher

San Francisco: Public Library of Science

More information

Scope and Contents

Contents

Triple-negative breast cancer (TNBC), accounting for 10–15% of all breast malignancies, is more prevalent in women under 40, particularly in those of African descent or carrying the BRCA1 mutation. TNBC is characterized by the absence of estrogen and progesterone receptors (ER, PR) and low or elevated HER2 expression. It represents a particularly a...

Alternative Titles

Full title

A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivatives

Identifiers

Primary Identifiers

Record Identifier

TN_cdi_plos_journals_2876444732

Permalink

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_plos_journals_2876444732

Other Identifiers

ISSN

1932-6203

E-ISSN

1932-6203

DOI

10.1371/journal.pone.0283271

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