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Current Trends in Biotechnology and PharmacyVol. 5 (1) 1029-1037 January 2011. ISSN 0973-8916 (Print), 2230-7303 (Online)103713. Jyothi Pattnaik K.S., Raghupathi Rao,N.D.and Parvathi Chary (2006).Ecomorphometric markers reflectvariations in Azadirachtin –A content ofAzadirachta indica A.jus (Meliaceae) inselect regions of Andhra Pradesh, India.Current Science 91:628-636.14. Adeeko, K. A. and Ajibolao. O. O. (1990).Processing factors affecting yield and qualityof Mechanically expressed Groundnut oil.Journal of Agric. Engineering. Vol 45: 31-43.15. Khraisha, Y. H. (2000). Retorting of oilshale followed by solvent extraction ofspent shale: Experiment and KineticAnalysis. Journal of Enegry Sources. 22:347-355.16. Horowitz, W. (1975). Official Methods ofAnalysis of AOAC Association of officialAnalytical Chemists Washington (12 th Ed).p 488.17. Mongkholkhajornsilp, D, Douglas, S.,Douglas, P. L., Elkamel, A., Teppaitoon, W.and Pongamphai, S. (2005). SupercriticalCO 2extraction of Nimbin from Neem seeds– A Modeling Study. Journal of FoodEngineering. 71: 331-340.18. Cox, H. E and Pearson, D. (1962). TheChemical Analysis of Foods ChemicalPublishing Co Inc New York. p 421.19. Maria Yuliana Liauw, Natan, F.A. Widiyanti,P. Ikasari, D. Indraswati N. and.Soetaredjo. F. E. (2008). Extraction ofNeem oil (Azadirachta indica A.juss) usingn-hexane and ethanol: Studies of oil quality,Kinetic and Thermodynamic. Vol 3, No 3,49-54.20. Felycia EdiSoetaredjo, Budijanto, G. M.Prasetyo, R. I. and Indraswati, N. (2008).Effectes of pre treatment condition on theyield and quality of neem oil obtained bymechanical pressing. ARPN Journal ofEngineering and Applied Sciences. Vol 3,No 5, 45-49. (2E,4Z,6Z)-Variations in quantity and quality of neemoil
Current Trends in Biotechnology and PharmacyVol. 5 (1) 1038-1042 January 2011. ISSN 0973-8916 (Print), 2230-7303 (Online)Extraction, Isolation, Molecular Modeling and Optimization ofAntimicrobial Agents from Coriandrum sativumK. Venkateswara Swamy 1 , Supriya Kore 2 , Rachna Pandey 2 ,Madhukar Khetmalas 2*1Department of Bioinformatics and Computer Science, Dr. D. Y. Patil Biotechnology and Bioinformatics Institute,Pune, India2Department of Molecular Biology, Genetics and Pharmacology, Dr. D. Y. Patil Biotechnology and BioinformaticsInstitute, Pune, India.*For Correspondence - venkateswara.swamy@gmail.com1038AbstractDuring the recent years the identificationof active biomolecules against microbial/viralpathogen are becoming increasingly important,particularly from the medicinal plants. The CCl 4fraction of Coriandrum sativum was testedagainst nine bacterial strains (Bacillus subtilis,Staphylococcus aureus, Staphylococcusepidermidis, Enterococcus faecalis,Escherichia coli, Klebsiella pneumonia,Pseudomonas aeruginosa, Erwinia sp, Proteusvulgaris) and one fungal strain (Candidaalbicans) to determine antimicrobial activity. TheCCl 4extract of C. sativum (analyzed using GC/MS) showed eight compounds based on retentiontime and physico chemical properties. All thecompounds were modeled and optimized withVlifeMDS TM software under specifiedparameters. These molecules will be moreimportant to design for best antibacterial agentsbased on computational tools.Key words: C. sativum, antimicrobial activity,antimicrobial agents, molecular modeling andoptimization, VlifeMDSIntroductionThe need for new antimicrobial agents isgreater than ever because of the emergence ofmultidrug resistance in common pathogens, therapid emergence of new infections, and thepotential for use of multidrug-resistant agents inbioweapons (1). Evaluation of syntheticcompounds and natural products for potentialantimicrobial activity continues to be an importantstrategy for the initial identification of new drugswith possible clinical values (2, 12).Plants are rich in a wide variety of secondarymetabolites, such as tannins, terpenoids, alkaloids,and flavonoids, which have been found in vitroto have antimicrobial properties (3). Despiteincreasing antimicrobial resistance and multipledrug resistance in clinical isolates of both Grampositiveand Gram-negative bacteria, there arefew novel antimicrobial agents in development.The few new agents that have been recentlylicensed have tended to have narrow spectra ofactivity, focused on Gram-positive pathogens,especially methicillin-resistant Staphylococcusaureus (MRSA)(4). Chemical principles fromnatural sources have become much simpler andhave contributed significantly to the developmentof new drugs from medicinal plants (4). Vital plantextracts are playing an important role inantimicrobial activity against pathogenic bacteriaand fungal diseases (5). Today, there are at least120 distinct chemical substances derived fromplants that are considered as important drugscurrently in use in one or more countries in theMolecular Modeling of Antimicrobial Agents from Coriandrum sativum
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