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Molecular docking analysis of docetaxel analogues as duel lipocalin 2 inhibitors.

ABSTRACT: Lipocalin 2 (Lcn2, also called as neutrophil gelatinase-associated lipocalin) is a member of the lipocalin family and a known target for breast cancer. Therefore, it is of interest to use Docetaxel as a scaffold to design molecules with improved efficiency from naturally derived phytochemicals. We document 10 analogues (4Deacetyltaxol, 7Acetyltaxol, Cabazitaxel, Cephalomannine, Docetaxal, Deacetyltaxol, Docetaxeltrihydrate, Ortataxel, Paclitaxel, Taxoline) having optimal binding with Lipocalin 2 in comparison with Docetaxel. This data is highly useful for consideration in the design and development of drugs for breast cancer.

SUBMITTER: Ponnulakshmi R

PROVIDER: S-EPMC7452746 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature

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Molecular docking analysis of docetaxel analogues as duel lipocalin 2 inhibitors.

Ponnulakshmi Rajagopal R Rekha Umapathy Vidhya UV Padmini Ramakrishnan R Perumal Srinivasan S Saravanan Radhakrishnan R Vishnupriya Veeraraghavan V Vijayalakshmi Periyasamy P Selvaraj Jayaraman J

Bioinformation 20200630 6

Lipocalin 2 (Lcn2, also called as neutrophil gelatinase-associated lipocalin) is a member of the lipocalin family and a known target for breast cancer. Therefore, it is of interest to use Docetaxel as a scaffold to design molecules with improved efficiency from naturally derived phytochemicals. We document 10 analogues (4Deacetyltaxol, 7Acetyltaxol, Cabazitaxel, Cephalomannine, Docetaxal, Deacetyltaxol, Docetaxeltrihydrate, Ortataxel, Paclitaxel, Taxoline) having optimal binding with Lipocalin 2 ...[more]

PMID: 32884206

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