Absract Archive

 

December 2009

Research Article

Molecular Docking Studies Of 9-Substituted Adenine Derivatives as Selective Phosphodiesterase Type-4 Inhibitors

Abstract


Abnormalities associated with inflammation comprise a large, unrelated group of disorders, which underlie a variety of human diseases. The immune system is often involved with inflammatory disorders, demonstrated in both allergic reactions and some myopathies. An example of the disorder associated with inflammation includes Asthma, which is a chronic disease of airways that is characterized by exacerbations of significant bronchospasm and marked airway inflammation. Cyclic adenosine monophosphate (cAMP) is thought to be associated with inflammatory cell activity. Since many phosphodiesterases (PDE’s) degrade cAMP, inhibitors of this enzyme decrease inflammatory cell activity. Hence, the PDE enzymes are used as target for pharmacological inhibition. Inhibitors from the 9-substituted adenine derivatives (6, 9-Disubstituted adenines & 2, 9-Disubstituted N6 – Methyl adenines) have been studied for their inhibitory activity against PDE4 using softwares GoldTM (CCDC software ltd, UK) and GlideTM (Schrödinger®, USA) softwares. Virtual Screening has been done for all these inhibitors and the ligands were chosen for induced fit docking based on their binding affinity, glide energy and glide score.

Key words: 9-substituted adenine derivatives, 6, 9-Disubstituted adenines, 2, 9-Disubstituted N6 – Methyl adenines, Phosphodiesterase type-4 inhibitors

Authors : Janagi, T.1, Velmurugan, D2. and Tamizh Muhil, P3.

For Correspondence: E Mail: janu.lifeislearning@gmail.com


Research Article

Molecular interaction of Withanolides from Withania somnifera Against The Oncoprotein Skp2 using Glide

Abstract


Withania somnifera (L) Dunal of solanaceae is an erect evergreen shrub distributed throughout the drier parts of the world.  W.somnifera is reported to have antitumor, radiosensitizer, antistressor, immuno-modulatory, anti-inflammatory and antibacterial effects. Skp2 is a member of the F-box family of substrate-recognition subunits of SCF ubiquitin-protein ligase complexes that has been implicated in the ubiquitin-mediated degradation. Withanolides may be useful for the prevention or treatment of cancer cells by suppressing the expression of Skp2.  Hence, the study was intended to investigate the interaction of withanolides with the target protein Skp2 by in silico method.  The docking of seven withanosides, six aglycans of withanosides and ten withanolides were performed against the target protein Skp2.  Withanoside VII showed the lowest binding energy and better G-Score but with low human oral absorption. Hence the compounds, aglycans of withanosides and withanolides showing good human oral absorption may be used for further drug development studies.

KEYWORDS: Withania somnifera, Withanolides, Skp2, Glide, Docking

Authors : Sindhu. K1 and Santhi.N2

For Correspondence: E Mail:sindhu.shylu@gmail.com


Screening of phytochemical Compounds, Antioxidant And Antimicrobial Activity Of Aloe Vera And Arkaa

Abstract

Medicinal plants are of great importance to the health of individuals and communities.The medicinal value of the plants lies in same chemical substances that produce a definite physiological action on human body. The most important of the bioactive constituents of plants are alkaloids, tannins,flavonoids and phenolic compounds. Ethanopharmacologists, botanists, microbiologists and natural product chemists combine to develop medicine for treatment of various infectious diseases and syndromes.  While 20-25% of current pharmaceuticals are derived from plants none are used as antimicrobials.Aloe vera is one of the important medicinal plant used for various purposes. Aloevera is used as food preservative. Here in our study we screened it for the presence of the phytochemicals tannin, saponin, flavonoids, steroids, cardiac glycosides in both Aloevera and Arkaa ( an ayu rvedic preparation).From our study the Medicinal products investigated, the ARKAA product was found to contain tannin, saponin and terpenoids.  A. juice product was found to contain tannin, saponin, flavonoids, steroids and cardiac glycosides, A . gel was found to contain tannin, saponin, flavonoids and cardiac glycosides.In conclusion both aloevera and arkaa was found to posses good antioxidant and antimicrobial activity.

Keywords:  Aloevera, Arkaa, antioxidant, antimicrobial, phytochemicals, tannin,saponin, flavonoid, cardiacglycosides.

Authors : S. Karunyadev1i, N.Arun2 and V.Surekha3

For Correspondence: E Mail: aamaravian@gmail.com


Short Communications

Antifungal Activities Of Morinda tinctoria Leaf Extract Against Some Fungal Isolates.

Abstract

The antifungal activity of various solvent extracts of Morinda tinctoria leaf by Disc diffusion method and minimum inhibitory concentration were analysed. The result indicates that the antifungal activity was maximum in the methanolic extract and Acetone and minimum in the chloroform extract and no activity of Hexane extracts. Through TLC (Thin layer chromatography) the samples of Morinda tinctoria distinctly colored spots were separated and Rf values were calculated. This study identified the phytochemical compounds of Morinda tinctoria.

Key words : Anti fungal activity, pathogens, plant extracts.

Author : Dr. N. Packialakshmi

For Correspondence: E Mail: : packia_lakshmi_1977@yahoo.com


Catechol-O-methyl transferase (COMT) Inhibitory Activity Of Withanolides From Withania somnifera (L.) Dunal As Revealed By Molecular Docking

Abstract

Withania somnifera Dunal (Ashwagandha) is an important medicinal plant and its medicinal properties have been attributed to various classes of withania compounds.  Withanolides are basically steroidal and various types have been isolated.  The diversity of pharmacological effect exhibited by these molecules is a function of the differences in their chemical structure.  Computational approaches that docking small molecules into the structure of macromolecular targets and scores their potential complementary binding sites are widely used in the identification and lead optimization.  In this study the molecular docking of Catechol-O-methyl transferase with the set of bioactive compounds from Withania somnifera and the drug molecules were performed. Even though, tolcapone showed the better score value which is associated with the fatal liver failure, entacapone is commonly used because of its safe medicine.  The natural compound, withanoside showed the better glide score value than the entacapone.  Thus it was concluded that as compared to available drug, withanosides were better inhibitors of Catechol-O-methyl transferase.

Author : N. Santhi

For Correspondence: E Mail: santhigowri@rediffmail.com


Studies on Phytochemical And Antimicrobial Activity Of Acalypha fruticosa Forsk Against Skin Pathogens

Abstract

Acalypha fruticosa is used in the treatment of skin diseases by the local folk (Nattu vaithiyer). The study plant was identified and verified at rapinaet herbarium, St. Joseph's college, Thiruchirapalli. The present study was under taken to investigate preliminary phytochemicals studies and antibacterial activity of leaf extract of Acalypha fruticosa against different gram negative bacteria and skin pathogen. Aqeous extract of leaf showed good antimicrobial activity (100mg/ml) against Staphylococcus aureus, Streptococcus pyogen, Stapylococcus epidermis, Proteus vulgaris Escherichia coli, Candida albicans. Acalypha fruticosa may prove it self useful and might be used for the treatment of skin pathogen.

Key words: Acalypha fruticosa, Photochemical, Staphylococcus aureus, Streptococcus pyogen, , Escherichia coli, Candida albicans. Antimicrobial activity

Authosr : S. Senthilkumar1 and R. Dhandapani2

For Correspondence: E.mail-snthlkmrs5@gmail.com 


Studies on Lipase-producing Pseudomonas aeruginosa from Oil Mill Effluent

Abstract

Lipase producing Pseudomonas aeruginosa were isolated from various oil mill effluents. The strains were identified by morphological and biochemical characters. Production media was optimized by varying both physical and chemical parameters such as pH, temperature, incubation period, carbon, nitrogen and substrate sources. The maximum lipase activity by Pseudomonas aeruginosa was at pH 7 at 35o C for 45 hours. Lipase activity was high in media containing glycerol, casein and pongemia oil. Statistical analysis revealed that variation in lipase production is highly influenced by changes in physical and chemical parameter.

 Key words : Pseudomonas aeruginosa, effluents, pongemia oil .

Authors :Prasad, M.P* and Manjunath K1

For Correspondence: E.mail:prasad_m_p@hotmail.com


Tools & Techniques

Affinity Purification Of Human IgG And Production Of Immunoprobes A Model Protocol

Abstract


IgG is the most abundant of the Immunoglobulin classes in serum of vertebrates and as a secondary response, will provide with high affinity specific reagents to a wide range of antigens. Such antibodies are indispensable and are probably the most widely used biologicals in the life sciences and basic research laboratories across the globe. This work describes affinity purification of IgG from human serum and conjugating the same with FITC and HRP, the widely used fluorescent dye and enzyme respectively for a variety of applications. Affinity purified IgG was obtained by a two step process comprising of initial salt fractionation followed by chromatography with Protein-A column. Direct Spectrophotometric and ELISA was utilized for quantifying IgG and also to analyze the efficiency of the purification protocols. The obtained IgG was concentrated by ultra concentrators as required for further conjugations with FITC and HRP. Aliquots of IgG were conjugated to FITC and HRP and the conjugates thus obtained were tested for utility and efficiency by Anti human IgG coated latex beads. Signals and images obtained were documented by light and fluorescent microscopy and documented. The over all protocols described here gave efficient recovery and affinity purified IgG and also the IgG-FITC and IgG-HRP conjugates gave desired utility results as Immunoprobes. The methodology adopted is universally applicable for all antibodies and has a plethora of applications ranging from academics, research, diagnostics and possible therapeutics.

Key Words: Human IgG, Affinity purification, Ultra concentration, FITC, HRP

Authors : Ravi M, Alagammai M, Hari K. Devi, Jeevitha A G, Kamna R, Maheshwari T, Mathangi R, Nivedita S, Princy S M, Roshan M V, Sai Lata De, Shravanthi C, Syed A, Shalini R D and V, Venkateshwaran G.

For Correspondence: E Mail:maddalyravi@hotmail.com