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Scientia Pharmaceutica is published by MDPI from Volume 84 Issue 3 (2016). Articles in this Issue were published by another publisher in Open Access under a CC-BY (or CC-BY-NC-ND) licence. Articles are hosted by MDPI on mdpi.com as a courtesy and upon agreement with Austrian Pharmaceutical Society (Österreichische Pharmazeutische Gesellschaft, ÖPhG).
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Sci. Pharm. 2015, 83(2), 243-267; https://doi.org/10.3797/scipharm.1408-10 (registering DOI)

Molecular Docking Studies of Phytocompounds from the Phyllanthus Species as Potential Chronic Pain Modulators

1
Department of Pharmacology and Pharmacognosy, Government College of Pharmacy, Karad, District Satara, 415124 Maharashtra, India.
2
Department of Pharmacology, Rajarambapu College of Pharmacy, Kasegaon, District-Sangli, 415404 Maharashtra, India.
3
Department of Pharmaceutical chemistry, Government College of Pharmacy, Karad, District Satara, 415124 Maharashtra, India.
*
Author to whom correspondence should be addressed.
Received: 16 August 2014 / Accepted: 8 November 2014 / Published: 8 November 2014
PDF [1086 KB, uploaded 7 September 2016]

Abstract

The study of inflammatory pain has been one of the most rapidly advancing and expanding areas of pain research in recent years. Studies from our lab have demonstrated the chronic pain-modulating potential of the Phyllanthus species and their probable interaction with various inflammatory mediators involving enzymes like COX-2 and PGE synthase, cytokines like TNF-alpha and IL-1 beta, and with the NMDA receptor. Inflammatory mediators which play a crucial role in chronic inflammatory hyperalgesia and its subsequent modulation were selected for their interactions with 86 structurally diverse phytoconstituents identified from the Phyllanthus species.
The docking analysis of the target proteins with the phytochemical ligands was performed using VLifeMDS software. The docking scores and analysis of the interactions of the phytocompounds with target proteins suggest that important molecules like lupeol, phyllanthin, hypopyllanthin, corilagin, epicatechin, and most of the other compounds have the ability to bind to multiple targets involved in inflammatory hyperalgesia.
Our study strongly suggests that the findings of the present study could be exploited in the future for designing ligands in order to obtain novel molecules for the treatment and management of chronic pain.
Keywords: InflammatoryPain; Docking; Phytochemical ligands; Phyllanthus InflammatoryPain; Docking; Phytochemical ligands; Phyllanthus
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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MDPI and ACS Style

CHOPADE, A.R.; SAYYAD, F.J.; PORE, Y.V. Molecular Docking Studies of Phytocompounds from the Phyllanthus Species as Potential Chronic Pain Modulators. Sci. Pharm. 2015, 83, 243-267.

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