Author(s):
Shatabdi Ghose, Umamaheswari S, Susithra E, Rajasekhar Chekkara, Naresh Kandakatla, Uma Maheswara Reddy C
Email(s):
shagh08@gmail.com , esusithra@gmail.com , rajasekhar@gmail.com , sparkshabz@gmail.com
Address:
Department of Pharmacology, Faculty of Pharmacy, Sri Ramachandra University. Chennai
Department of Pharmacognosy, Faculty of Pharmacy, Sri Ramachandra University, Chennai
Department of Chemistry, Satyabama University, Jeppiar Nagar, Chennai, India.
Published In:
Volume - 29,
Issue - 1,
Year - 2016
Cite this article:
Ghose, S, E, Chekkara, Kandakatla and C (2016). Pharmacological Screening of the Bioactive Constituents of Operculina turpethum. Journal of Ravishankar University (Part-B: Science), 29(1), pp.101-102.
OP-F08
Pharmacological
Screening of the Bioactive Constituents of Operculina turpethum
Shatabdi Ghose, Umamaheswari S,
Susithra E, Rajasekhar Chekkara, Naresh Kandakatla and Uma Maheswara Reddy C
Department of Pharmacology,
Faculty of Pharmacy, Sri Ramachandra University. Chennai, India, email id: shagh08@gmail.com
Department of Pharmacognosy,
Faculty of Pharmacy, Sri Ramachandra University, Chennai, India, email id.esusithra@gmail.com
Department of Chemistry,
Satyabama University, Jeppiar Nagar, Chennai, India;
email id: chekkara. rajasekhar@gmail.com
Corresponding author email: sparkshabz@gmail.com
[Received
31 December 2015; accepted 4 January 2016]
Abstract: Secondary
metabolites from natural sources play a crucial role in the treatment of
various ailments in humans. Traditionally, Operculina turpethum has been used
to treat gastrointestinal disturbances and asthma. Therapeutically, the plant
has activity against tumor, tuberculosis, malaria, etc. In the present study,
the scavenging capacity of the chloroform extract was studied as a prelude to
the anti-neoplastic efficacy. The molecular simulation studies to identify the
bioactive constituents in Operculina turpethum responsible for anticancer
property were done. Further, the chloroform extract was assessed for its
anti-oxidant potential. The eight naturally occurring molecules were identified
by GC-MS analysis namely, 3-(4-hydroxy-phenyl)-N-[2-(4-hydroxyphenyl)-ethyl)-acrylamide:
Stigma-5,22dien-3-0-b-D-glucopyranoside; Turpethinic acids A-E, and were docked
against various cancer proteins namely, JNKI (PDB ID:4L7F), MMP-9 (PDB
ID:4XCT). Caspase-3 (PDB ID 2XYG), PARP-1 (PDB ID:4UND), ERK2 (PDB ID:3C9W),
AKTI (PDB ID:4EKL) and CDK6 (PDB ID:4TTH) using LigandFit module in Discovery
Studio. The chloroform extract showed significant anti-oxidant property with IC
value of 126.58ug/ml. From molecular docking studies, it was observed that all
the docked compounds showed effective hydrogen bond interactions with the
active amino acid residues present in the active domain of proteins like, INKI,
MMP-9, Caspase-3, PARP-1, ERK2& CDK6. Furthermore the "Stigma-5,
22dien-3-0-b-D-glucopyranoside" docked compound shows good H-bond
interactions and bond length with the active residues present in the active
domain of PARP-1. ERK2 and AKTI. From the above study, it is inferred that the
chloroform extract possessed significant anti-oxidant property and among the
molecules docked, 3-(4-hydroxy-phenyl)-N-[2-(4-hydroxy
phenyl)-ethyl]-acrylamide, Turpethinic acids C and Turpethinic acids E showed
more interaction score and H-bond formation with all the docked cancer
proteins. It can be concluded that a rational drug designing with the above
targeted compounds might be useful in development of selective inhibitors for
treatment of cancer.
Keywords: Operculina
turpethum, Anti-oxidant activity. Molecular docking, Cancer targets