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Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids

A series of six novel benzimidazole-pyrazole hybrid molecules was synthesized and characterized using elemental analysis (CHN) and spectroscopic methods ((1)HNMR, FT-IR). All the synthesized compounds were evaluated for their in vivo anti ulcerogenic activity using Albino rats (weighing 180–220 g)....

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Autores principales: Noor, Abida, Qazi, Neelum Gul, Nadeem, Humaira, Khan, Arif-ullah, Paracha, Rehan Zafar, Ali, Fawad, Saeed, Adil
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5581743/
https://www.ncbi.nlm.nih.gov/pubmed/29086868
http://dx.doi.org/10.1186/s13065-017-0314-0
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author Noor, Abida
Qazi, Neelum Gul
Nadeem, Humaira
Khan, Arif-ullah
Paracha, Rehan Zafar
Ali, Fawad
Saeed, Adil
author_facet Noor, Abida
Qazi, Neelum Gul
Nadeem, Humaira
Khan, Arif-ullah
Paracha, Rehan Zafar
Ali, Fawad
Saeed, Adil
author_sort Noor, Abida
collection PubMed
description A series of six novel benzimidazole-pyrazole hybrid molecules was synthesized and characterized using elemental analysis (CHN) and spectroscopic methods ((1)HNMR, FT-IR). All the synthesized compounds were evaluated for their in vivo anti ulcerogenic activity using Albino rats (weighing 180–220 g). The interactions between the compounds and active site residues of H(+)/K(+) ATPase were investigated by molecular docking studies using autodock vina 4.0. SCH28080 was used to validate the docking results. Also the drug likeliness of these compounds was predicted using Molinspiration server in light of Lipinski’s rule of five. All the six synthesized compounds exhibited higher anti-ulcer activity as compared to omeprazole. These novel hybrid compounds showed comparable anti-ulcer potential of 72–83% at dose level of 500 µg/kg, whereas omeprazole showed 83% anti-ulcer activity at dose level of 30 mg/kg. The results clearly indicate that these novel benzimidazole-pyrazole hybrids can present a new class of potential anti ulcer agents and can serve as new anti-ulcer drugs after further investigation. [Figure: see text]
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spelling pubmed-55817432017-09-19 Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids Noor, Abida Qazi, Neelum Gul Nadeem, Humaira Khan, Arif-ullah Paracha, Rehan Zafar Ali, Fawad Saeed, Adil Chem Cent J Research Article A series of six novel benzimidazole-pyrazole hybrid molecules was synthesized and characterized using elemental analysis (CHN) and spectroscopic methods ((1)HNMR, FT-IR). All the synthesized compounds were evaluated for their in vivo anti ulcerogenic activity using Albino rats (weighing 180–220 g). The interactions between the compounds and active site residues of H(+)/K(+) ATPase were investigated by molecular docking studies using autodock vina 4.0. SCH28080 was used to validate the docking results. Also the drug likeliness of these compounds was predicted using Molinspiration server in light of Lipinski’s rule of five. All the six synthesized compounds exhibited higher anti-ulcer activity as compared to omeprazole. These novel hybrid compounds showed comparable anti-ulcer potential of 72–83% at dose level of 500 µg/kg, whereas omeprazole showed 83% anti-ulcer activity at dose level of 30 mg/kg. The results clearly indicate that these novel benzimidazole-pyrazole hybrids can present a new class of potential anti ulcer agents and can serve as new anti-ulcer drugs after further investigation. [Figure: see text] Springer International Publishing 2017-09-02 /pmc/articles/PMC5581743/ /pubmed/29086868 http://dx.doi.org/10.1186/s13065-017-0314-0 Text en © The Author(s) 2017 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.
spellingShingle Research Article
Noor, Abida
Qazi, Neelum Gul
Nadeem, Humaira
Khan, Arif-ullah
Paracha, Rehan Zafar
Ali, Fawad
Saeed, Adil
Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids
title Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids
title_full Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids
title_fullStr Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids
title_full_unstemmed Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids
title_short Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids
title_sort synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5581743/
https://www.ncbi.nlm.nih.gov/pubmed/29086868
http://dx.doi.org/10.1186/s13065-017-0314-0
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