Identification of human cyclooxegenase-2 inhibitors from Cyperus scariosus (R.Br) rhizomes

Kakarla, Lavanya; Mathi, Pardhasaradhi; Allu, Prasada Rao; Rama, Chakravarthy; Botlagunta, Mahendran

doi:10.6026/97320630010637

Cited by 9 publications

(3 citation statements)

References 24 publications

(24 reference statements)

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“…Crystal structure of human DDX3 (PDB ID 2I4I) of resolution 2.20 Å with respective ligand, AMP was retrieved was retrieved from RCSB protein data bank. Hydrogen atoms were added, and then pdb file is uploaded to make receptor as per the standard method by using Fast Rigid Exhaustive Docking (FRED) [ 31 ].…”

Section: Methodsmentioning

confidence: 99%

In vitro anti-cancer activity of doxorubicin against human RNA helicase, DDX3

et al. 2016

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RNA helicase, DDX3 is a multifunctional enzyme and is known to be associated with several diseases like HIV progression, brain and breast cancer. Some of the ring expanded nucleoside compounds such as REN: NZ51, fused di imidazodiazepine ring (RK33), (Z)-3-(5- (3-bromo benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2- hydroxy phenyl) propanamide compound (FE15) have been documented to inhibit DDX3 helicase activity. However, synthesis of these drugs is limited to few research groups. Prevalence of literature study, we found that doxorubicin form strong hydrogen bond interactions with crystallized form of DDX3 using in-silico molecular docking approach. To evaluate the biological inhibitory action of doxorubicin, we performed the ATPase activity assay and anti-cancer activity using H357 cancer cell lines. Results showed that doxorubicin continually declined the inorganic phosphate (Pi) release and inhibited the ATP hydrolysis by directly interacting with DDX3. Anticancer activity was detected by MTT assay. The half maximal inhibitory concentrations of doxorubicin (IC50) for H357 cancer cell line is 50 μM and also doxorubicin significantly down regulated the expression of DDX3. Taken together, our results demonstrate, that inhibition of DDX3 expression by using doxorubicin can be used as an ideal drug candidate to treat DDX3 associated cancer disorder by interacting with unique amino acid residues (Thr 198) and common amino acid residues (Tyr 200 and Thr 201).

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Section: Methodsmentioning

confidence: 99%

In vitro anti-cancer activity of doxorubicin against human RNA helicase, DDX3

et al. 2016

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“…12 The three dimensional protein structures along with the crystallized ligand, AMP (Adenosine monophosphate) were obtained from Protein Data Bank (PDB) PDB ID: 1PXX and 2AW1. Hydrogen atoms were added, water molecules were removed from the cavity to prepare biologically active and stable receptor.…”

Section: Molecular Dockingmentioning

confidence: 99%

Comparative Biochemical Studies on Indian Sedges Cyperus scariosus R.Br and Cyperus rotundus L.

Kakarla¹,

Othayoth²,

Botlagunta³

2016

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Background: Cyperus scariosus R.Br and Cyperus rotundus L are well known Indian medicinal plants in ayurveda and herbal industry. These two species are often treated as synonymous to each other, although they grow in different agro climatic conditions. Objective: In the present study, we made an attempt on comparative biochemical studies among these two species by using various spectroscopic, analytical and in silico molecular docking studies. Materials and Methods: Rhizome methanolic extracts of both the species were subjected to GC-MS and elemental analysis to identify the presence of phytochemical constituents and trace elements respectively. Following confirmation, the identified compounds were subjected to molecular docking analysis using anti-inflammatory protein COX-2 as the target receptor. Further these extracts were encapsulated into biodegradable chitosan nanoparticles and they were characterised using SEM and FT-IR analysis. Finally, the antioxidant and anti-inflammatory activity of these extract loaded nanoparticles were evaluated using in vitro assays. Results: Compounds present in both plant extracts form strong hydrogen bond interactions with COX-2. SEM analysis of C. scariosus showed chitosan nanoparticles are spherical in shape. Whereas C. rotundus forms aggregates, although they are well-dispersed in water following lyophilisation. FT-IR analysis showed that both plant extracts have different compounds, which is evident from the wavelength difference and their shift pattern as compared to blank nanoparticles. In spite of the differences, both of the drug encapsulated plant extracts showed good antioxidant and anti-inflammatory properties. Conclusion: C. scariosus and C. rotundus are different, but similar with some of the phytochemical constituents and pharmaceutical values.

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“…[ 5 ] Along these lines, CS has an antioxidant and anti-inflammatory activities. [ 6 ] Although these two species are grown in different soil conditions, CS R. Br often treated as synonymous of CR. [ 7 ] Recently, few reports have also been appeared in the literature[ 8 9 ] where the compounds isolated from CR and its activities were reported in the name of CS.…”

Section: Introductionmentioning

confidence: 99%

Morphological and chemoprofile (liquid chromatography-mass spectroscopy and gas chromatography-mass spectroscopy) comparisons of Cyperus scariosus R. Br and Cyperus rotundus L.

Kakarla¹,

Katragadda²,

Botlagunta³

2015

Phcog Mag

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Background:Cyperus scariosus (CS) R.Br and Cyperus rotundus (CR) L. belongs to Cyperaceae family which is well-reputed in the traditional systems of medicine. Although they grow in different agro-climatic conditions, they are often considered to be synonymous with each other.Objective:The present study was aimed to systematically classify both the species CS and CR through their morphological features and chemical profiling using liquid chromatography-mass spectroscopy (LC-MS), gas chromatography-mass spectroscopy (GC-MS) and thin layer chromatography patterns of the rhizome extracts.Materials and Methods:A method (LC-MS analysis) has been developed on Agilent LC-MSD Trap SL mass spectrometer equipped with Waters HR C18 column (3.9 mm × 300 mm, 6 μm) using isocratic elution with acetonitrile and water (70:30% v/v ratio). GC-MS analysis was performed on a Shimadzu GC-MS-QP 2010 equipped with DB-5 capillary column (30 m × 0.25 mm × 0.25 μm).Results:Chemoprofiling of CS and CR using LC-MS and GC-MS suggested that these two are different based on their deferential spectral pattern, however, some of the common peaks were found in both the species. In addition, we also performed the preliminary phytochemical investigation of hexane and chloroform extracts of these species, which led to the isolation of stigmasterol, β-sitosterol and lupeol as major constituents in CS.Conclusion:In summary, we have developed optimal chromatographic conditions (LC-MS and GC-MS) and morphological profiles to classify both the species, that is, CS and CR. Collectively, our analytical results coupled with the morphological data clearly suggested that CS and CR are morphologically different.SUMMARY The huge demand for herbal medicine has put pressure on the supply of natural resources which ultimately results in use of substandard materials or substitution and adulteration. The medicinal plants, Cyperus rotundus L and Cyperus scariosus R.Br which belongs to cyperaceae family and extensively used in the traditional systems of medicine. Although these two species are grown in different soil conditions, Cyperus scariosus R.Br often treated as synonymous of Cyperus rotundus. Thus, the present study was undertaken to classify these two species systematically using the modern analytical techniques as a powerful tools. Further, we also carried out the preliminary phytochemical investigation of hexane and chloroform extracts of cyperus scariosus rhizomes, which resulted in the isolation of three compounds namely Sitosterol, Stigmasterol and Lupeol.

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Identification of human cyclooxegenase-2 inhibitors from Cyperus scariosus (R.Br) rhizomes

Cited by 9 publications

References 24 publications

In vitro anti-cancer activity of doxorubicin against human RNA helicase, DDX3

In vitro anti-cancer activity of doxorubicin against human RNA helicase, DDX3

Comparative Biochemical Studies on Indian Sedges Cyperus scariosus R.Br and Cyperus rotundus L.

Morphological and chemoprofile (liquid chromatography-mass spectroscopy and gas chromatography-mass spectroscopy) comparisons of Cyperus scariosus R. Br and Cyperus rotundus L.

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