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.
Highlights
Breast cancer is an issue of medical importance worldwide [1,2,3]
It is of interest to use Docetaxel as a scaffold to design molecules with improved efficiency from naturally derived phytochemicals
Protein preparation: The X-ray crystallographic structure of the lipocalin 2 with 2.6Å resolution was retrieved from Protein Data Bank (PDB) with PDB ID: 1DFV was used in this study using standard procedure [19]
Summary
Breast cancer is an issue of medical importance worldwide [1,2,3]. Treatments such as radiation therapy, chemotherapy, surgery, immunotherapy, and hormone therapy are available with debatable efficiency. Known drugs in this context is under constant debate for efficiency and drug resistance [4, 5]. The use of an FDA approved drug docetaxel as a therapeutic agent in cancer patients are known [6,7,8,9,10]. It is of interest to use Docetaxel as a scaffold to design molecules with improved efficiency from naturally derived phytochemicals
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