Molecular docking analysis of docetaxel analogues as duel lipocalin 2 inhibitors

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 d...

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Autores principales: Ponnulakshmi, Rajagopal, Rekha, Umapathy Vidhya, Padmini, Ramakrishnan, Perumal, Srinivasan, Saravanan, Radhakrishnan, Vishnupriya, Veeraraghavan, Vijayalakshmi, Periyasamy, Selvaraj, Jayaraman
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2020
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7452746/
https://www.ncbi.nlm.nih.gov/pubmed/32884206
http://dx.doi.org/10.6026/97320630016438
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author Ponnulakshmi, Rajagopal
Rekha, Umapathy Vidhya
Padmini, Ramakrishnan
Perumal, Srinivasan
Saravanan, Radhakrishnan
Vishnupriya, Veeraraghavan
Vijayalakshmi, Periyasamy
Selvaraj, Jayaraman
author_facet Ponnulakshmi, Rajagopal
Rekha, Umapathy Vidhya
Padmini, Ramakrishnan
Perumal, Srinivasan
Saravanan, Radhakrishnan
Vishnupriya, Veeraraghavan
Vijayalakshmi, Periyasamy
Selvaraj, Jayaraman
author_sort Ponnulakshmi, Rajagopal
collection PubMed
description 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.
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spelling pubmed-74527462020-09-02 Molecular docking analysis of docetaxel analogues as duel lipocalin 2 inhibitors Ponnulakshmi, Rajagopal Rekha, Umapathy Vidhya Padmini, Ramakrishnan Perumal, Srinivasan Saravanan, Radhakrishnan Vishnupriya, Veeraraghavan Vijayalakshmi, Periyasamy Selvaraj, Jayaraman Bioinformation Research Article 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. Biomedical Informatics 2020-06-30 /pmc/articles/PMC7452746/ /pubmed/32884206 http://dx.doi.org/10.6026/97320630016438 Text en © 2020 Biomedical Informatics http://creativecommons.org/licenses/by/3.0/ This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.
spellingShingle Research Article
Ponnulakshmi, Rajagopal
Rekha, Umapathy Vidhya
Padmini, Ramakrishnan
Perumal, Srinivasan
Saravanan, Radhakrishnan
Vishnupriya, Veeraraghavan
Vijayalakshmi, Periyasamy
Selvaraj, Jayaraman
Molecular docking analysis of docetaxel analogues as duel lipocalin 2 inhibitors
title Molecular docking analysis of docetaxel analogues as duel lipocalin 2 inhibitors
title_full Molecular docking analysis of docetaxel analogues as duel lipocalin 2 inhibitors
title_fullStr Molecular docking analysis of docetaxel analogues as duel lipocalin 2 inhibitors
title_full_unstemmed Molecular docking analysis of docetaxel analogues as duel lipocalin 2 inhibitors
title_short Molecular docking analysis of docetaxel analogues as duel lipocalin 2 inhibitors
title_sort molecular docking analysis of docetaxel analogues as duel lipocalin 2 inhibitors
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7452746/
https://www.ncbi.nlm.nih.gov/pubmed/32884206
http://dx.doi.org/10.6026/97320630016438
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