Pharmacological Analysis and Molecular Docking of <i>Laurus nobilis (Bay Leaf)</i> for Lung Cancer with Reference to Sirtuin Drug Targets

Seema Rani Padhiary; Kalpana Priyadarsini Das; Meeneri Bobde; Vhatkar Pooja; Sameer Sharma

doi:doi:10.11648/j.ijbse.20210902.11

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Pharmacological Analysis and Molecular Docking of Laurus nobilis (Bay Leaf) for Lung Cancer with Reference to Sirtuin Drug Targets

Seema Rani Padhiary, Kalpana Priyadarsini Das, Meeneri Bobde, Vhatkar Pooja, Sameer Sharma

Published in International Journal of Biomedical Science and Engineering (Volume 9, Issue 2)

Received: 22 March 2021 Accepted: 8 April 2021 Published: 20 April 2021

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Abstract

The aim of this in silico study was to analyze the inhibitory activity of selected phytocompounds from the Bayleaf (Laurus nobilis) in contrast to sirtuin proteins using the various pharmacological tools and molecular docking analysis. Laurus nobilis is a perennial herbs native to the family Lauraceae and it has been cultivated throughout the tropical, European, subtropical, and Asian nations. It has been used for thousands of years for food flavoring, essential oil applications, and in traditional medicine. Mostly, it contains all types of secondary metabolites such as tannins, flavones, flavonoids, alkaloids, eugenol, linalool, methyl chavicol, and anthocyanins. The 3D structures of phytocompounds were retrieved from Pubchem and chemspider databases and subjected to various bioinformatic tools such as SwissADME, Modeller, and Autodock for molecular docking to predict the active binding sites of sirtuin proteins. The comparison of molecular docking score exposed that the targeted phytocompounds showed good binding affinity in contrast to anti-cancer sirtuin proteins. The ADME and Molecular docking properties for drug likeness making them significant agents for biological activities and it is expected to be beneficial and effective for cancer. Bayleaf shows an optimistic results towards the treatment of many diseases. The Bayleaf traditionally has healing properties which has now dragged the attention of science for the betterment of humans. The phytochemical compounds found in and taken in the above research have showed good results with cancer receptors Sirtuin1 and Sirtuin4.

Published in	International Journal of Biomedical Science and Engineering (Volume 9, Issue 2)
DOI	10.11648/j.ijbse.20210902.11
Page(s)	11-15
Creative Commons	This is an Open Access article, 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 or format, provided the original work is properly cited.
Copyright	Copyright © The Author(s), 2024. Published by Science Publishing Group

Keywords

Bayleaf, Flavonoids, Cancer, Molecular Docking

References

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[2]	Bilen S., Bulut M. Effects of laurel (Laurus nobilis) on the non-specific immune responses of rainbow trout (Oncorhynchus mykiss, Walbaum). Journal of Animal and Veterinary Advances. 2010; 9: 1275–1279.
[3]	Bozan B., Karakaplan U. Antioxidants from laurel (Laurus nobilis L.) berries: influence of extraction procedure on yield and antioxidant activity of extracts. Acta Alimentaria. 2007; 36: 321–328.
[4]	Choudhary D., Kala S., Todaria N., Dasgupta S., Kollmair M. Effects of harvesting on productivity of bay leaf tree (Cinnamomum tamala Nees & Eberm): Case from Udayapur district of Nepal. Journal of Forestry Research. 2014; 25: 163–170.
[5]	Deniz H. Sustainable Collection of Laurel (Laurus Nobilis L.) Leaves in Antalya Province. 2012.
[6]	Elmastaş M., Gülçin I., Işildak Ö., Küfrevioğlu Ö., İbaoğlu K., Aboul-Enein H. Radical scavenging activity and antioxidant capacity of bay leaf extracts. Journal of the Iranian Chemical Society. 2006; 3: 258–266.
[7]	Erler F., Ulug I., Yalcinkaya B. Repellent activity of five essential oils against Culex pipiens. Fitoterapia. 2006; 77: 491–494.
[8]	Fang F., Sang S., Chen K. Y., Gosslau A., Ho C.-T., Rosen R. T. Isolation and identification of cytotoxic compounds from Bay leaf (Laurus nobilis). Food Chemistry. 2005; 93: 497–501.
[9]	Aparna Kuna, Somya. M & Sreedhar. M. Health Benefits of Bay Leaf. MFPI - Quality Control Laboratory, PJTS Agricultural University.
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[11]	Silveira S, Luciano FB, Fronza N, Cunha Jr A, Scheuermann GN, et al. Laurus nobilis essential oil towards foodborne pathogens and its Application in fresh Tuscan sausage stored at 7°C. LWT. Food Science and Technology. 2014; 59: 86-93.
[12]	Ertürk O. Antibacterial and Antifungal activity of ethanolic extracts from eleven spice plants. Biologia. 2006; 61: 275-278.
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[14]	Daina A, Michielin O, Zoete V. Swiss ADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Sci Rep. 2017; 7: 42717.
[15]	Daina A, Zoete V. A BOILED-Egg to predict gastrointestinal absorption and brain penetration of small molecules. Chem Med Chem. 2016; 11 (11): 1117-1121.
[16]	Halgren TA, Murphy RB, Friesner RA, Beard HS, Frye LL, et al. Glide: a new approach for rapid, accurate docking and scoring 2. Enrichment factors in database screening. J Med Chem. 2004; 47 (7): 1750- 1759.
[17]	Friesner RA, Banks JL, Murphy RB, Halgren TA, Klicic JJ, et al. Glide: a new approach for rapid, accurate docking and scoring. J Med Chem. 2004; 47 (7): 1739-1749.
[18]	Friesner RA, Murphy RB, Repasky MP, Frye LL, Greenwood JR, et al. Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes. J Med Chem. 2006; 49 (21): 6177–6196.

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APA Style

Seema Rani Padhiary, Kalpana Priyadarsini Das, Meeneri Bobde, Vhatkar Pooja, Sameer Sharma. (2021). Pharmacological Analysis and Molecular Docking of Laurus nobilis (Bay Leaf) for Lung Cancer with Reference to Sirtuin Drug Targets. International Journal of Biomedical Science and Engineering, 9(2), 11-15. https://doi.org/10.11648/j.ijbse.20210902.11

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ACS Style

Seema Rani Padhiary; Kalpana Priyadarsini Das; Meeneri Bobde; Vhatkar Pooja; Sameer Sharma. Pharmacological Analysis and Molecular Docking of Laurus nobilis (Bay Leaf) for Lung Cancer with Reference to Sirtuin Drug Targets. Int. J. Biomed. Sci. Eng. 2021, 9(2), 11-15. doi: 10.11648/j.ijbse.20210902.11

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AMA Style

Seema Rani Padhiary, Kalpana Priyadarsini Das, Meeneri Bobde, Vhatkar Pooja, Sameer Sharma. Pharmacological Analysis and Molecular Docking of Laurus nobilis (Bay Leaf) for Lung Cancer with Reference to Sirtuin Drug Targets. Int J Biomed Sci Eng. 2021;9(2):11-15. doi: 10.11648/j.ijbse.20210902.11

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@article{10.11648/j.ijbse.20210902.11,
  author = {Seema Rani Padhiary and Kalpana Priyadarsini Das and Meeneri Bobde and Vhatkar Pooja and Sameer Sharma},
  title = {Pharmacological Analysis and Molecular Docking of Laurus nobilis (Bay Leaf) for Lung Cancer with Reference to Sirtuin Drug Targets},
  journal = {International Journal of Biomedical Science and Engineering},
  volume = {9},
  number = {2},
  pages = {11-15},
  doi = {10.11648/j.ijbse.20210902.11},
  url = {https://doi.org/10.11648/j.ijbse.20210902.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijbse.20210902.11},
  abstract = {The aim of this in silico study was to analyze the inhibitory activity of selected phytocompounds from the Bayleaf (Laurus nobilis) in contrast to sirtuin proteins using the various pharmacological tools and molecular docking analysis. Laurus nobilis is a perennial herbs native to the family Lauraceae and it has been cultivated throughout the tropical, European, subtropical, and Asian nations. It has been used for thousands of years for food flavoring, essential oil applications, and in traditional medicine. Mostly, it contains all types of secondary metabolites such as tannins, flavones, flavonoids, alkaloids, eugenol, linalool, methyl chavicol, and anthocyanins. The 3D structures of phytocompounds were retrieved from Pubchem and chemspider databases and subjected to various bioinformatic tools such as SwissADME, Modeller, and Autodock for molecular docking to predict the active binding sites of sirtuin proteins. The comparison of molecular docking score exposed that the targeted phytocompounds showed good binding affinity in contrast to anti-cancer sirtuin proteins. The ADME and Molecular docking properties for drug likeness making them significant agents for biological activities and it is expected to be beneficial and effective for cancer. Bayleaf shows an optimistic results towards the treatment of many diseases. The Bayleaf traditionally has healing properties which has now dragged the attention of science for the betterment of humans. The phytochemical compounds found in and taken in the above research have showed good results with cancer receptors Sirtuin1 and Sirtuin4.},
 year = {2021}
}

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TY  - JOUR
T1  - Pharmacological Analysis and Molecular Docking of Laurus nobilis (Bay Leaf) for Lung Cancer with Reference to Sirtuin Drug Targets
AU  - Seema Rani Padhiary
AU  - Kalpana Priyadarsini Das
AU  - Meeneri Bobde
AU  - Vhatkar Pooja
AU  - Sameer Sharma
Y1  - 2021/04/20
PY  - 2021
N1  - https://doi.org/10.11648/j.ijbse.20210902.11
DO  - 10.11648/j.ijbse.20210902.11
T2  - International Journal of Biomedical Science and Engineering
JF  - International Journal of Biomedical Science and Engineering
JO  - International Journal of Biomedical Science and Engineering
SP  - 11
EP  - 15
PB  - Science Publishing Group
SN  - 2376-7235
UR  - https://doi.org/10.11648/j.ijbse.20210902.11
AB  - The aim of this in silico study was to analyze the inhibitory activity of selected phytocompounds from the Bayleaf (Laurus nobilis) in contrast to sirtuin proteins using the various pharmacological tools and molecular docking analysis. Laurus nobilis is a perennial herbs native to the family Lauraceae and it has been cultivated throughout the tropical, European, subtropical, and Asian nations. It has been used for thousands of years for food flavoring, essential oil applications, and in traditional medicine. Mostly, it contains all types of secondary metabolites such as tannins, flavones, flavonoids, alkaloids, eugenol, linalool, methyl chavicol, and anthocyanins. The 3D structures of phytocompounds were retrieved from Pubchem and chemspider databases and subjected to various bioinformatic tools such as SwissADME, Modeller, and Autodock for molecular docking to predict the active binding sites of sirtuin proteins. The comparison of molecular docking score exposed that the targeted phytocompounds showed good binding affinity in contrast to anti-cancer sirtuin proteins. The ADME and Molecular docking properties for drug likeness making them significant agents for biological activities and it is expected to be beneficial and effective for cancer. Bayleaf shows an optimistic results towards the treatment of many diseases. The Bayleaf traditionally has healing properties which has now dragged the attention of science for the betterment of humans. The phytochemical compounds found in and taken in the above research have showed good results with cancer receptors Sirtuin1 and Sirtuin4.
VL  - 9
IS  - 2
ER  -

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Author Information

Seema Rani Padhiary

Department of Bioinformatics, BioNome Private Limited, Bengaluru, India
Kalpana Priyadarsini Das

Department of Bioinformatics, BioNome Private Limited, Bengaluru, India
Meeneri Bobde

Department of Bioinformatics, BioNome Private Limited, Bengaluru, India
Vhatkar Pooja

Department of Bioinformatics, BioNome Private Limited, Bengaluru, India
Sameer Sharma

Department of Bioinformatics, BioNome Private Limited, Bengaluru, India

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APA Style

Seema Rani Padhiary, Kalpana Priyadarsini Das, Meeneri Bobde, Vhatkar Pooja, Sameer Sharma. (2021). Pharmacological Analysis and Molecular Docking of Laurus nobilis (Bay Leaf) for Lung Cancer with Reference to Sirtuin Drug Targets. International Journal of Biomedical Science and Engineering, 9(2), 11-15. https://doi.org/10.11648/j.ijbse.20210902.11

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ACS Style

Seema Rani Padhiary; Kalpana Priyadarsini Das; Meeneri Bobde; Vhatkar Pooja; Sameer Sharma. Pharmacological Analysis and Molecular Docking of Laurus nobilis (Bay Leaf) for Lung Cancer with Reference to Sirtuin Drug Targets. Int. J. Biomed. Sci. Eng. 2021, 9(2), 11-15. doi: 10.11648/j.ijbse.20210902.11

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AMA Style

Seema Rani Padhiary, Kalpana Priyadarsini Das, Meeneri Bobde, Vhatkar Pooja, Sameer Sharma. Pharmacological Analysis and Molecular Docking of Laurus nobilis (Bay Leaf) for Lung Cancer with Reference to Sirtuin Drug Targets. Int J Biomed Sci Eng. 2021;9(2):11-15. doi: 10.11648/j.ijbse.20210902.11

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@article{10.11648/j.ijbse.20210902.11,
  author = {Seema Rani Padhiary and Kalpana Priyadarsini Das and Meeneri Bobde and Vhatkar Pooja and Sameer Sharma},
  title = {Pharmacological Analysis and Molecular Docking of Laurus nobilis (Bay Leaf) for Lung Cancer with Reference to Sirtuin Drug Targets},
  journal = {International Journal of Biomedical Science and Engineering},
  volume = {9},
  number = {2},
  pages = {11-15},
  doi = {10.11648/j.ijbse.20210902.11},
  url = {https://doi.org/10.11648/j.ijbse.20210902.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijbse.20210902.11},
  abstract = {The aim of this in silico study was to analyze the inhibitory activity of selected phytocompounds from the Bayleaf (Laurus nobilis) in contrast to sirtuin proteins using the various pharmacological tools and molecular docking analysis. Laurus nobilis is a perennial herbs native to the family Lauraceae and it has been cultivated throughout the tropical, European, subtropical, and Asian nations. It has been used for thousands of years for food flavoring, essential oil applications, and in traditional medicine. Mostly, it contains all types of secondary metabolites such as tannins, flavones, flavonoids, alkaloids, eugenol, linalool, methyl chavicol, and anthocyanins. The 3D structures of phytocompounds were retrieved from Pubchem and chemspider databases and subjected to various bioinformatic tools such as SwissADME, Modeller, and Autodock for molecular docking to predict the active binding sites of sirtuin proteins. The comparison of molecular docking score exposed that the targeted phytocompounds showed good binding affinity in contrast to anti-cancer sirtuin proteins. The ADME and Molecular docking properties for drug likeness making them significant agents for biological activities and it is expected to be beneficial and effective for cancer. Bayleaf shows an optimistic results towards the treatment of many diseases. The Bayleaf traditionally has healing properties which has now dragged the attention of science for the betterment of humans. The phytochemical compounds found in and taken in the above research have showed good results with cancer receptors Sirtuin1 and Sirtuin4.},
 year = {2021}
}

Copy | Download

TY  - JOUR
T1  - Pharmacological Analysis and Molecular Docking of Laurus nobilis (Bay Leaf) for Lung Cancer with Reference to Sirtuin Drug Targets
AU  - Seema Rani Padhiary
AU  - Kalpana Priyadarsini Das
AU  - Meeneri Bobde
AU  - Vhatkar Pooja
AU  - Sameer Sharma
Y1  - 2021/04/20
PY  - 2021
N1  - https://doi.org/10.11648/j.ijbse.20210902.11
DO  - 10.11648/j.ijbse.20210902.11
T2  - International Journal of Biomedical Science and Engineering
JF  - International Journal of Biomedical Science and Engineering
JO  - International Journal of Biomedical Science and Engineering
SP  - 11
EP  - 15
PB  - Science Publishing Group
SN  - 2376-7235
UR  - https://doi.org/10.11648/j.ijbse.20210902.11
AB  - The aim of this in silico study was to analyze the inhibitory activity of selected phytocompounds from the Bayleaf (Laurus nobilis) in contrast to sirtuin proteins using the various pharmacological tools and molecular docking analysis. Laurus nobilis is a perennial herbs native to the family Lauraceae and it has been cultivated throughout the tropical, European, subtropical, and Asian nations. It has been used for thousands of years for food flavoring, essential oil applications, and in traditional medicine. Mostly, it contains all types of secondary metabolites such as tannins, flavones, flavonoids, alkaloids, eugenol, linalool, methyl chavicol, and anthocyanins. The 3D structures of phytocompounds were retrieved from Pubchem and chemspider databases and subjected to various bioinformatic tools such as SwissADME, Modeller, and Autodock for molecular docking to predict the active binding sites of sirtuin proteins. The comparison of molecular docking score exposed that the targeted phytocompounds showed good binding affinity in contrast to anti-cancer sirtuin proteins. The ADME and Molecular docking properties for drug likeness making them significant agents for biological activities and it is expected to be beneficial and effective for cancer. Bayleaf shows an optimistic results towards the treatment of many diseases. The Bayleaf traditionally has healing properties which has now dragged the attention of science for the betterment of humans. The phytochemical compounds found in and taken in the above research have showed good results with cancer receptors Sirtuin1 and Sirtuin4.
VL  - 9
IS  - 2
ER  -

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