Non-cancer to anti-cancer: investigation of human ether-a-go-go-related gene potassium channel inhibitors as potential therapeutics

Abstract Background The expression of hERG K+ channels is observed in various cancer cells including epithelial, neuronal, leukemic, and connective tissue. The role of hERG potassium channels in regulating the growth and death of cancer cells include cell proliferation, survival, secretion of proang...

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Autores principales:	Vaishali M. Patil, Anand Gaurav, Priyanka Garg, Neeraj Masand
Formato:	article
Lenguaje:	EN
Publicado:	SpringerOpen 2021
Materias:	hERG inhibitors Non-cancer Anti-cancer agents Molecular docking Drug repurposing Neoplasms. Tumors. Oncology. Including cancer and carcinogens RC254-282
Acceso en línea:	https://doaj.org/article/0c45d7f460b04441a37f4354bfc95753
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spelling	oai:doaj.org-article:0c45d7f460b04441a37f4354bfc957532021-11-14T12:10:03ZNon-cancer to anti-cancer: investigation of human ether-a-go-go-related gene potassium channel inhibitors as potential therapeutics10.1186/s43046-021-00091-32589-0409https://doaj.org/article/0c45d7f460b04441a37f4354bfc957532021-11-01T00:00:00Zhttps://doi.org/10.1186/s43046-021-00091-3https://doaj.org/toc/2589-0409Abstract Background The expression of hERG K+ channels is observed in various cancer cells including epithelial, neuronal, leukemic, and connective tissue. The role of hERG potassium channels in regulating the growth and death of cancer cells include cell proliferation, survival, secretion of proangiogenic factors, invasiveness, and metastasis. Methods In the reported study, an attempt has been made to investigate some non-cancer hERG blockers as potential cancer therapeutics using a computational drug repurposing strategy. Preliminary investigation for hERG blockers/non-blockers has identified 26 potential clinically approved compounds for further studies using molecular modeling. Results The interactions at the binding pockets have been investigated along with the prioritization based on the binding score. Some of the identified potential hERG inhibitors, i.e., Bromocriptine, Darglitazone, and Troglitazone, have been investigated to derive the mechanism of cancer inhibition. Conclusions The proposed mechanism for anti-cancer properties via hERG blocking for some of the potential compounds is required to be explored using other experimental methodologies. The drug repurposing approach applied to investigate anti-cancer therapeutics may direct to provide a therapeutic solution to late-stage cancer and benefit a significant population of patients.Vaishali M. PatilAnand GauravPriyanka GargNeeraj MasandSpringerOpenarticlehERG inhibitorsNon-cancerAnti-cancer agentsMolecular dockingDrug repurposingNeoplasms. Tumors. Oncology. Including cancer and carcinogensRC254-282ENJournal of the Egyptian National Cancer Institute, Vol 33, Iss 1, Pp 1-16 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	hERG inhibitors Non-cancer Anti-cancer agents Molecular docking Drug repurposing Neoplasms. Tumors. Oncology. Including cancer and carcinogens RC254-282
spellingShingle	hERG inhibitors Non-cancer Anti-cancer agents Molecular docking Drug repurposing Neoplasms. Tumors. Oncology. Including cancer and carcinogens RC254-282 Vaishali M. Patil Anand Gaurav Priyanka Garg Neeraj Masand Non-cancer to anti-cancer: investigation of human ether-a-go-go-related gene potassium channel inhibitors as potential therapeutics
description	Abstract Background The expression of hERG K+ channels is observed in various cancer cells including epithelial, neuronal, leukemic, and connective tissue. The role of hERG potassium channels in regulating the growth and death of cancer cells include cell proliferation, survival, secretion of proangiogenic factors, invasiveness, and metastasis. Methods In the reported study, an attempt has been made to investigate some non-cancer hERG blockers as potential cancer therapeutics using a computational drug repurposing strategy. Preliminary investigation for hERG blockers/non-blockers has identified 26 potential clinically approved compounds for further studies using molecular modeling. Results The interactions at the binding pockets have been investigated along with the prioritization based on the binding score. Some of the identified potential hERG inhibitors, i.e., Bromocriptine, Darglitazone, and Troglitazone, have been investigated to derive the mechanism of cancer inhibition. Conclusions The proposed mechanism for anti-cancer properties via hERG blocking for some of the potential compounds is required to be explored using other experimental methodologies. The drug repurposing approach applied to investigate anti-cancer therapeutics may direct to provide a therapeutic solution to late-stage cancer and benefit a significant population of patients.
format	article
author	Vaishali M. Patil Anand Gaurav Priyanka Garg Neeraj Masand
author_facet	Vaishali M. Patil Anand Gaurav Priyanka Garg Neeraj Masand
author_sort	Vaishali M. Patil
title	Non-cancer to anti-cancer: investigation of human ether-a-go-go-related gene potassium channel inhibitors as potential therapeutics
title_short	Non-cancer to anti-cancer: investigation of human ether-a-go-go-related gene potassium channel inhibitors as potential therapeutics
title_full	Non-cancer to anti-cancer: investigation of human ether-a-go-go-related gene potassium channel inhibitors as potential therapeutics
title_fullStr	Non-cancer to anti-cancer: investigation of human ether-a-go-go-related gene potassium channel inhibitors as potential therapeutics
title_full_unstemmed	Non-cancer to anti-cancer: investigation of human ether-a-go-go-related gene potassium channel inhibitors as potential therapeutics
title_sort	non-cancer to anti-cancer: investigation of human ether-a-go-go-related gene potassium channel inhibitors as potential therapeutics
publisher	SpringerOpen
publishDate	2021
url	https://doaj.org/article/0c45d7f460b04441a37f4354bfc95753
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Non-cancer to anti-cancer: investigation of human ether-a-go-go-related gene potassium channel inhibitors as potential therapeutics

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