Analgesic Activity, Chemical Profiling and Computational Study on Chrysopogon aciculatus

S. M. Neamul Kabir Zihad; Niloy Bhowmick; Shaikh Jamal Uddin; Nazifa Sifat; Md Shamim Rahman; Razina Rouf; Muhammad Torequl Islam; Shrabanti Dev; Hazrina Hazni; Shahin Aziz; Eunüs S. Ali; Asish K. Das; Jamil A. Shilpi; Lutfun Nahar; Satyajit D. Sarker

doi:10.3389/fphar.2018.01164

Analgesic Activity, Chemical Profiling and Computational Study on Chrysopogon aciculatus

S. M. Neamul Kabir Zihad, Niloy Bhowmick, Shaikh Jamal Uddin, Nazifa Sifat, Md Shamim Rahman, Razina Rouf, Muhammad Torequl Islam, Shrabanti Dev, Hazrina Hazni, Shahin Aziz, Eunüs S. Ali, Asish K. Das, Jamil A. Shilpi, Lutfun Nahar, Satyajit D. Sarker

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

Present study was undertaken to evaluate the analgesic activity of the ethanol extract of Chrysopogon aciculatus. In addition to bioassays in mice, chemical profiling was done by LC-MS and GC-MS to identify phytochemicals, which were further docked on the catalytic site of COX-2 enzymes with a view to suggest the possible role of such phytoconstituents in the observed analgesic activity. Analgesic activity of C. aciculatus was evaluated by acetic acid induced writhing reflex method and hot plate technique. Phytochemical profiling was conducted using liquid chromatography mass spectrometry (LC-MS) and gas chromatography mass spectrometry (GC-MS). In docking studies, homology model of human COX-2 enzyme was prepared using Easy Modeler 4.0 and the identified phytoconstituents were docked using Autodock Vina. Preliminary acute toxicity test of the ethanol extract of C. aciculatus showed no sign of mortality at the highest dose of 4,000 mg/kg. The whole plant extract significantly (p < 0.05) inhibited acetic acid induced writhing in mice at the doses of 500 and 750 mg/kg. The extract delayed the response time in hot plate test in a dose dependent manner. LC-MS analysis of the plant extract revealed the presence of aciculatin, nudaphantin and 5α,8α-epidioxyergosta-6,22-diene-3β-ol. Three compounds namely citronellylisobutyrate; 2,4-dihydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one and nudaphantin were identified in the n-hexane fraction by GC-MS. Among these compounds, six were found to be interacting with the binding site for arachidonic acid in COX-2 enzyme. Present study strongly supports the traditional use of C. aciculatus in the management of pain. In conclusion, compounds (tricin, campesterol, gamma oryzanol, and citronellyl isobutyrate) showing promising binding affinity in docking studies, along with previously known anti-inflammatory compound aciculatin can be held responsible for the observed activity.

Original language	English
Article number	1164
Journal	Frontiers in Pharmacology
Volume	9
Issue number	OCT
DOIs	https://doi.org/10.3389/fphar.2018.01164
State	Published - Oct 15 2018

Bibliographical note

Publisher Copyright:
Copyright © 2018 Zihad, Bhowmick, Uddin, Sifat, Rahman, Rouf, Islam, Dev, Hazni, Aziz, Ali, Das, Shilpi, Nahar and Sarker. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

Funding

1Pharmacy Discipline, Life Science School, Khulna University, Khulna, Bangladesh, 2Biotechnology and Genetic Engineering Discipline, Life Science School, Khulna University, Khulna, Bangladesh, 3Department of Pharmacy, Faculty of Life Science, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj, Bangladesh, 4Department for Management of Science and Technology Development, Ton Duc Thang University, Ho Chi Minh City, Vietnam, 5Faculty of Pharmacy, Ton Duc Thang University, Ho Chi Minh City, Vietnam, 6Centre for Natural Products and Drug Discovery, University of Malaya, Kuala Lumpur, Malaysia, 7Chemical Research Division, Bangladesh Council of Scientific and Industrial Research, Dhaka, Bangladesh, 8Department of Biochemistry and Molecular Genetics, Northwestern University Feinberg School of Medicine, Chicago, IL, United States, 9Medicinal Chemistry and Natural Products Research Group, School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, United Kingdom This study was carried out in accordance with the internationally accepted principle for laboratory use and care (National Research Council of USA, 1996). The protocol was approved by a Animal Ethics Committee, Pharmacy Discipline, Life Science We are thankful to Pharmacy Discipline, Life Science School, Khulna University, Bangladesh for providing the laboratory facility.

Funders	Funder number
1Pharmacy Discipline
3Department
4Department for Management of Science and Technology Development
5Faculty
6Centre for Natural Products and Drug
9Medicinal Chemistry and Natural Products Research Group
University of Malaya
City, University of London
Feinberg School of Medicine, Chicago
Liverpool John Moores University
National Council for Scientific Research
Bangladesh Council of Scientific and Industrial Research
Khulna University

Keywords

Aciculatin
Analgesic
Chrysopogon aciculatus
Docking
Gas chromatography mass spectrometry
Hot plate test
Liquid chromatography mass spectrometry
Poaceae

ASJC Scopus subject areas

Pharmacology
Pharmacology (medical)

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.3389/fphar.2018.01164

Cite this

Neamul Kabir Zihad, S. M., Bhowmick, N., Uddin, S. J., Sifat, N., Shamim Rahman, M., Rouf, R., Islam, M. T., Dev, S., Hazni, H., Aziz, S., Ali, E. S., Das, A. K., Shilpi, J. A., Nahar, L., & Sarker, S. D. (2018). Analgesic Activity, Chemical Profiling and Computational Study on Chrysopogon aciculatus. Frontiers in Pharmacology, 9(OCT), Article 1164. https://doi.org/10.3389/fphar.2018.01164

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abstract = "Present study was undertaken to evaluate the analgesic activity of the ethanol extract of Chrysopogon aciculatus. In addition to bioassays in mice, chemical profiling was done by LC-MS and GC-MS to identify phytochemicals, which were further docked on the catalytic site of COX-2 enzymes with a view to suggest the possible role of such phytoconstituents in the observed analgesic activity. Analgesic activity of C. aciculatus was evaluated by acetic acid induced writhing reflex method and hot plate technique. Phytochemical profiling was conducted using liquid chromatography mass spectrometry (LC-MS) and gas chromatography mass spectrometry (GC-MS). In docking studies, homology model of human COX-2 enzyme was prepared using Easy Modeler 4.0 and the identified phytoconstituents were docked using Autodock Vina. Preliminary acute toxicity test of the ethanol extract of C. aciculatus showed no sign of mortality at the highest dose of 4,000 mg/kg. The whole plant extract significantly (p < 0.05) inhibited acetic acid induced writhing in mice at the doses of 500 and 750 mg/kg. The extract delayed the response time in hot plate test in a dose dependent manner. LC-MS analysis of the plant extract revealed the presence of aciculatin, nudaphantin and 5α,8α-epidioxyergosta-6,22-diene-3β-ol. Three compounds namely citronellylisobutyrate; 2,4-dihydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one and nudaphantin were identified in the n-hexane fraction by GC-MS. Among these compounds, six were found to be interacting with the binding site for arachidonic acid in COX-2 enzyme. Present study strongly supports the traditional use of C. aciculatus in the management of pain. In conclusion, compounds (tricin, campesterol, gamma oryzanol, and citronellyl isobutyrate) showing promising binding affinity in docking studies, along with previously known anti-inflammatory compound aciculatin can be held responsible for the observed activity.",

keywords = "Aciculatin, Analgesic, Chrysopogon aciculatus, Docking, Gas chromatography mass spectrometry, Hot plate test, Liquid chromatography mass spectrometry, Poaceae",

author = "\{Neamul Kabir Zihad\}, \{S. M.\} and Niloy Bhowmick and Uddin, \{Shaikh Jamal\} and Nazifa Sifat and \{Shamim Rahman\}, Md and Razina Rouf and Islam, \{Muhammad Torequl\} and Shrabanti Dev and Hazrina Hazni and Shahin Aziz and Ali, \{Eun{\"u}s S.\} and Das, \{Asish K.\} and Shilpi, \{Jamil A.\} and Lutfun Nahar and Sarker, \{Satyajit D.\}",

note = "Publisher Copyright: Copyright {\textcopyright} 2018 Zihad, Bhowmick, Uddin, Sifat, Rahman, Rouf, Islam, Dev, Hazni, Aziz, Ali, Das, Shilpi, Nahar and Sarker. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.",

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AU - Uddin, Shaikh Jamal

AU - Sifat, Nazifa

AU - Shamim Rahman, Md

AU - Rouf, Razina

AU - Islam, Muhammad Torequl

AU - Dev, Shrabanti

AU - Hazni, Hazrina

AU - Aziz, Shahin

AU - Ali, Eunüs S.

AU - Das, Asish K.

AU - Shilpi, Jamil A.

AU - Nahar, Lutfun

AU - Sarker, Satyajit D.

N1 - Publisher Copyright: Copyright © 2018 Zihad, Bhowmick, Uddin, Sifat, Rahman, Rouf, Islam, Dev, Hazni, Aziz, Ali, Das, Shilpi, Nahar and Sarker. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

PY - 2018/10/15

Y1 - 2018/10/15

N2 - Present study was undertaken to evaluate the analgesic activity of the ethanol extract of Chrysopogon aciculatus. In addition to bioassays in mice, chemical profiling was done by LC-MS and GC-MS to identify phytochemicals, which were further docked on the catalytic site of COX-2 enzymes with a view to suggest the possible role of such phytoconstituents in the observed analgesic activity. Analgesic activity of C. aciculatus was evaluated by acetic acid induced writhing reflex method and hot plate technique. Phytochemical profiling was conducted using liquid chromatography mass spectrometry (LC-MS) and gas chromatography mass spectrometry (GC-MS). In docking studies, homology model of human COX-2 enzyme was prepared using Easy Modeler 4.0 and the identified phytoconstituents were docked using Autodock Vina. Preliminary acute toxicity test of the ethanol extract of C. aciculatus showed no sign of mortality at the highest dose of 4,000 mg/kg. The whole plant extract significantly (p < 0.05) inhibited acetic acid induced writhing in mice at the doses of 500 and 750 mg/kg. The extract delayed the response time in hot plate test in a dose dependent manner. LC-MS analysis of the plant extract revealed the presence of aciculatin, nudaphantin and 5α,8α-epidioxyergosta-6,22-diene-3β-ol. Three compounds namely citronellylisobutyrate; 2,4-dihydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one and nudaphantin were identified in the n-hexane fraction by GC-MS. Among these compounds, six were found to be interacting with the binding site for arachidonic acid in COX-2 enzyme. Present study strongly supports the traditional use of C. aciculatus in the management of pain. In conclusion, compounds (tricin, campesterol, gamma oryzanol, and citronellyl isobutyrate) showing promising binding affinity in docking studies, along with previously known anti-inflammatory compound aciculatin can be held responsible for the observed activity.

AB - Present study was undertaken to evaluate the analgesic activity of the ethanol extract of Chrysopogon aciculatus. In addition to bioassays in mice, chemical profiling was done by LC-MS and GC-MS to identify phytochemicals, which were further docked on the catalytic site of COX-2 enzymes with a view to suggest the possible role of such phytoconstituents in the observed analgesic activity. Analgesic activity of C. aciculatus was evaluated by acetic acid induced writhing reflex method and hot plate technique. Phytochemical profiling was conducted using liquid chromatography mass spectrometry (LC-MS) and gas chromatography mass spectrometry (GC-MS). In docking studies, homology model of human COX-2 enzyme was prepared using Easy Modeler 4.0 and the identified phytoconstituents were docked using Autodock Vina. Preliminary acute toxicity test of the ethanol extract of C. aciculatus showed no sign of mortality at the highest dose of 4,000 mg/kg. The whole plant extract significantly (p < 0.05) inhibited acetic acid induced writhing in mice at the doses of 500 and 750 mg/kg. The extract delayed the response time in hot plate test in a dose dependent manner. LC-MS analysis of the plant extract revealed the presence of aciculatin, nudaphantin and 5α,8α-epidioxyergosta-6,22-diene-3β-ol. Three compounds namely citronellylisobutyrate; 2,4-dihydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one and nudaphantin were identified in the n-hexane fraction by GC-MS. Among these compounds, six were found to be interacting with the binding site for arachidonic acid in COX-2 enzyme. Present study strongly supports the traditional use of C. aciculatus in the management of pain. In conclusion, compounds (tricin, campesterol, gamma oryzanol, and citronellyl isobutyrate) showing promising binding affinity in docking studies, along with previously known anti-inflammatory compound aciculatin can be held responsible for the observed activity.

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Analgesic Activity, Chemical Profiling and Computational Study on Chrysopogon aciculatus

Abstract

Bibliographical note

Funding

Keywords

ASJC Scopus subject areas

UN SDGs

Access to Document

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