Research Article Open Access Srivastava et al., J Proteomics Bioinform 2013, 6:5 http://dx.doi.org/10.4172/jpb.1000269 Research Article Open Access Proteomics & Bioinformatics Volume 6(5) 109-124 (2013) - 109 J Proteomics Bioinform ISSN:0974-276X JPB, an open access journal Screening and Identification of Salicin Compound from Desmodium gangeticum and its In vivo Anticancer Activity and Docking Studies with Cyclooxygenase (COX) Proteins from Mus musculus Preeti Srivastava 1 *, Vinay K Singh 1 , Brahma Deo Singh 1 , Gaurava Srivastava 2 , Bhuwan B Misra 3 and Vyasji Tripathi 3 1 School of Biotechnology, Faculty of Science, Banaras Hindu University, Varanasi-221005, Uttar Pradesh, India 2 School of Biochemical Engineering, Indian Institute of Technology, Banaras Hindu University, Varanasi-221005, Uttar Pradesh, India 3 Department of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi-221005, Uttar Pradesh, India *Corresponding author: Preeti Srivastava, School of Biotechnology, Faculty of Science, Banaras Hindu University, Varanasi-221005, Uttar Pradesh, India, Tel: +91-9236060830; Fax: +91- 542-2368693; E-mail: preetibtbhu@gmail.com Received March 18, 2013; Accepted May 27, 2013; Published May 30, 2013 Citation: Srivastava P, Singh VK, Singh BD, Srivastava G, Misra BB, et al. (2013) Screening and Identiication of Salicin Compound from Desmodium gangeticum and its In vivo Anticancer Activity and Docking Studies with Cyclooxygenase (COX) Proteins from Mus musculus. J Proteomics Bioinform 6: 109-124. doi:10.4172/ jpb.1000269 Copyright: © 2013 Srivastava P, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Keywords: Cyclooxygenase; Salicin; Docking; Molecular modeling; Functional motif; Anti-cancer; Desmodium gangeticum Abbreviations: COX: Cyclooxygenase; nM: Nanomolar; NSAID: Nonsteroidal Anti-Inlammatory Drug; DG: Desmodium Gangeticum Introduction Plants have been utilized as medicines for thousands of years [1], initially as crude drugs like tinctures, teas, poultices, powders and other herbal formulations [1,2]. he identity medicinal plants and the methods of their use were passed down through oral history, but eventually this information was recorded in herbals, and subsequently active compounds were isolated beginning with morphine from opium in the early 19 th century [1,3], followed by cocaine, codeine, digitoxin and quinine [1,4,5]. Isolation and characterization of pharmacologically active compounds from medicinal plants continue today, and drug discovery techniques are now being used to standardize herbal medicines and to elucidate analytical marker compounds. Methods used to acquire compounds for drug discovery include isolation from plants and other natural sources, chemical synthesis, combinatorial chemistry and molecular modeling [6-8]. Drug discovery from medicinal plants has contributed to cancer treatment, and most new clinical applications during the last half century relate to cancer [4,5,9]. By 2020, approximately 15 million new cancer cases will be diagnosed, and 12 million these patients will die [10]. Cancer is caused by both internal factors such as inherited mutations, hormones, and immune conditions, and environmental/acquired factors like tobacco, diet, radiation, and infectious organisms [11]. he attractiveness of natural compounds as drugs partly stems from their potential ability to inluence multiple components of the carcinogenesis pathway. Natural products are typically isolated in quantities insuicient for lead optimization, lead development, and clinical trials. herefore, possibilities of their synthesis or semi-synthesis need to be explored [8,12]. In addition, libraries of natural products and natural-product- like compounds including their features important for combinatorial chemistry may be created [13-15]. here are two well established isoforms of the cyclooxigenase (COX) enzyme that difer in their distribution in the body and in physiological function. COX-1 is constitutively expressed in normal tissues and it is involved in maintaining mucosal integrity, platelet aggregation and gastric cytoprotection [16]. In contrast, COX-2 is not expressed in normal mucosa, but is expressed very early in response to neoplastic and inlammatory stimuli, and is extensively overexpressed in diferent neoplasms, making it an attractive therapeutic target. Besides the role of COX-2 in the production of inlammatory prostaglandins, its momentous participation in the initiation/propagation of cancer [17- 21] and in the development of multidrug resistance is well explored [22,23]. Over-expression of COX-2 probably occurs from the irst genetically altered cell, through hyperplasia, dysplasia, carcinoma, and even metastasis of colorectal cancer [24-26]. Number of nonsteroidal anti-inlammatory drugs (NSAIDs) and selective COX-2 inhibitors have been investigated for anticancer activities [27-31]. Pharmacological inhibition of COX can provide relief from inlammation and, as a result, from pain. Non-steroidal anti- inlammatory drugs, such as aspirin and ibuprofen, exert their efects through inhibition of COX. Turmeric, ginger, boswellia, hops and some Abstract Cancer continues to be a worldwide killer, despite the enormous amount of research and rapid developments seen during the past decade. It has been suggested that by 2020 more than 15 million new cases of cancer will be diagnosed. Since it is commonly believed that many are preventable, there is urgent need to identify/develop natural medicines as effective chemopreventive agents. The purpose of this current study was to assess the effect of isolated and characterized salicin on cyclooxygenase (COX) proteins by molecular docking studies and by assessments of the effects of drug-ligand interaction. Salicin isolated from Desmodium gangeticum, a medicinal legume, is a COX inhibitor. The present study report the extraction, isolation and identiication of salicin and its interaction with COX-1 and COX-2 derivatives, which may be useful for drug-designing for anti-cancer activities. Molecular modeling and docking studies revealed the binding orientations of salicin into the active sites of COX-1 and COX-2 enzymes. Extraction, isolation and characterization of the compound 2-(hydroxymethyl) phenyl hexopyranoside, also known as ‘salicin’, from the leaves of D. gangeticum irst time. Anticancer evaluation of salicin in in vivo mice model.