In-Silico Drug discovery approach targeting receptor tyrosine kinase-like orphan receptor 1 for cancer treatment

Abstract Receptor tyrosine kinases (RTK) are important cell signaling molecules that influence many cellular processes. Receptor tyrosine kinase such as orphan receptor 1 (Ror1), a surface antigen, is a member of the RTK family of Ror, which plays a crucial role in cancers that have high-grade histo...

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Autores principales:	Onkar Nath, Archana Singh, Indrakant K. Singh
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/a21da3a87f5542dcbfa68ef97538a945
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spelling	oai:doaj.org-article:a21da3a87f5542dcbfa68ef97538a9452021-12-02T12:30:46ZIn-Silico Drug discovery approach targeting receptor tyrosine kinase-like orphan receptor 1 for cancer treatment10.1038/s41598-017-01254-w2045-2322https://doaj.org/article/a21da3a87f5542dcbfa68ef97538a9452017-04-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-01254-whttps://doaj.org/toc/2045-2322Abstract Receptor tyrosine kinases (RTK) are important cell signaling molecules that influence many cellular processes. Receptor tyrosine kinase such as orphan receptor 1 (Ror1), a surface antigen, is a member of the RTK family of Ror, which plays a crucial role in cancers that have high-grade histology. As Ror1 has been implicated to be a potential target for cancer therapy, we selected this protein for further investigation. The secondary and tertiary structure of this protein was determined, which revealed that this protein contained three β-sheets, seven α-helices, and coils. The prediction of the active site revealed its cage-like function that opens for ligand entry and then closes for interacting with the ligands. Optimized ligands from the database were virtually screened to obtain the most efficient and potent ones. The screened ligands were evaluated for their therapeutic usefulness. Furthermore, the ligands that passed the test were docked to the target protein resulting in a few ligands with high score, which were analyzed further. The highest scoring ligand, Beta-1, 2,3,4,6-Penta-O-Galloyl-D-Glucopyranose was reported to be a naturally occurring tannin. This in silico approach indicates the potential of this molecule for advancing a further step in cancer treatment.Onkar NathArchana SinghIndrakant K. SinghNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-10 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Onkar Nath Archana Singh Indrakant K. Singh In-Silico Drug discovery approach targeting receptor tyrosine kinase-like orphan receptor 1 for cancer treatment
description	Abstract Receptor tyrosine kinases (RTK) are important cell signaling molecules that influence many cellular processes. Receptor tyrosine kinase such as orphan receptor 1 (Ror1), a surface antigen, is a member of the RTK family of Ror, which plays a crucial role in cancers that have high-grade histology. As Ror1 has been implicated to be a potential target for cancer therapy, we selected this protein for further investigation. The secondary and tertiary structure of this protein was determined, which revealed that this protein contained three β-sheets, seven α-helices, and coils. The prediction of the active site revealed its cage-like function that opens for ligand entry and then closes for interacting with the ligands. Optimized ligands from the database were virtually screened to obtain the most efficient and potent ones. The screened ligands were evaluated for their therapeutic usefulness. Furthermore, the ligands that passed the test were docked to the target protein resulting in a few ligands with high score, which were analyzed further. The highest scoring ligand, Beta-1, 2,3,4,6-Penta-O-Galloyl-D-Glucopyranose was reported to be a naturally occurring tannin. This in silico approach indicates the potential of this molecule for advancing a further step in cancer treatment.
format	article
author	Onkar Nath Archana Singh Indrakant K. Singh
author_facet	Onkar Nath Archana Singh Indrakant K. Singh
author_sort	Onkar Nath
title	In-Silico Drug discovery approach targeting receptor tyrosine kinase-like orphan receptor 1 for cancer treatment
title_short	In-Silico Drug discovery approach targeting receptor tyrosine kinase-like orphan receptor 1 for cancer treatment
title_full	In-Silico Drug discovery approach targeting receptor tyrosine kinase-like orphan receptor 1 for cancer treatment
title_fullStr	In-Silico Drug discovery approach targeting receptor tyrosine kinase-like orphan receptor 1 for cancer treatment
title_full_unstemmed	In-Silico Drug discovery approach targeting receptor tyrosine kinase-like orphan receptor 1 for cancer treatment
title_sort	in-silico drug discovery approach targeting receptor tyrosine kinase-like orphan receptor 1 for cancer treatment
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/a21da3a87f5542dcbfa68ef97538a945
work_keys_str_mv	AT onkarnath insilicodrugdiscoveryapproachtargetingreceptortyrosinekinaselikeorphanreceptor1forcancertreatment AT archanasingh insilicodrugdiscoveryapproachtargetingreceptortyrosinekinaselikeorphanreceptor1forcancertreatment AT indrakantksingh insilicodrugdiscoveryapproachtargetingreceptortyrosinekinaselikeorphanreceptor1forcancertreatment
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In-Silico Drug discovery approach targeting receptor tyrosine kinase-like orphan receptor 1 for cancer treatment

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