PDTDB – AN INTEGRATIVE STR METABOLI 1,* A 1 Department of Bioinformatics, No 2 PG Department of Zoolog ARTICLE INFO ABST Unders interac Integra Target (second structu molecu molecu results) phytoc structu phytoc and/or propert PDTDB Copyright©2016, Ashok Kumar and Rajagopal. This unrestricted use, distribution, and reproduction in any m INTRODUCTION Throughout the ages, natural products hav major and valuable resource for health and humans (Bagetta, 2012; Buss and Butler, 20 Most of the drug discoveries of modern med extracted from natural products or inspired and Tyagi, 2015; Ji et al., 2009; Li and Vede product consists of compounds that are der sources such as plants, minerals, and animals Research, 2016; Lahlou, 2007; What Are t Sources of Drugs, 2016). Phytonutrients or p the organic bioactive chemical compounds pr that have disease preventive propert Phytonutrients, 2016; Lahlou, 2013; Omota 2012; A-Z of Natural Foods and Nutritiona Natural products have the tendency to impro ability to balance and to heal itself (A Naturopathy, 2016). Many research stu consuming phytonutrient rich foods *Corresponding author: Ashok Kumar, T. Department of Bioinformatics, Noorul Islam C Science, Thuckalay, Tamil Nadu, India. ISSN: 0975-833X Article History: Received 16 th November, 2016 Received in revised form 10 th December, 2016 Accepted 28 th January, 2017 Published online 28 th February, 2017 Key words: PDTDB, Structure Activity Relationship, Integrative Structural Database, Structure Binding, Target-Ligand Interaction, Prediction Server. Citation: Ashok Kumar and Rajagopal, 2017. “PD drug targets”, International Journal of Current Resea RESEARCH ARTICLE RUCTURAL DATABASE AND PREDICTION ITES AND THERAPEUTIC DRUG TARGET Ashok Kumar T. and 2 Rajagopal B. oorul Islam College of Arts and Science, Thucka gy, Government Arts College, Dharmapuri, Tam TRACT standing the biological phenomena of sequence, structure, f ctions of species is crucial to identify or analyze the bio ation of all data facilitates unified access to the key problem DataBase) is anintegrative structural database, which con dary metabolites, plant anatomy, side effects, and medicina ure, SMILES string, side effects, and medicinal propert ular structure, sequence, mechanism of the drug target, dise ular dockings (target-ligand complex interaction, drug ac ), and structure activity relationship between diseases chemicals. The database provides keyword or accession nu ures search using SMILES string or by sketching the structu chemical structures with similar molecular formula search, b search database entries from the sortable table. It su ties of sequence and structures, and interactive visualizati B is freely accessible at https://pdt.biogem.org. is an open access article distributed under the Creative Comm medium, provided the original work is properly cited. ve formed as the d medicine to the 010; Lahlou, 2007). dicines were either d by them (Prasad eras, 2009). Natural rived from natural s (Natural Products the Pharmaceutical phytochemicals are resent in the plants ties (What Are ayo and Borokini, al Benefits, 2016). ove the body’s vital A Close Look at udies show that and beverages College of Arts and prevent from disease (Phytoch 2016; Health Benefits of Fruit Natural Foods and Nutritional B phytochemicals loss or chang cooking foods, due to therma reactions (Palermo et al., 2 products in drug discovery is, complex molecular structures molecules (Lahlou, 2013; Kris 2014). Due to its nature, sele drug target for docking with p 2007; Lahlou, 2013). Recently, many big pharmac organizations have renewed potential lead compounds from threatening diseases (Lahlou, 2 about 49% of modern medicin directly derived (semi-synthe Cragg, 2016; Newman and Cr 2013). With the advances three˗dimensional molecular properties of many phytochem there are still many thousands Available online at http://www.journalcra.com International Journal of Current Research Vol. 9, Issue, 02, pp.46537-46541, February, 2017 I DTDB – An integrative structural database and prediction server arch, 09, (02), 46537-46541. N SERVER FOR PLANT TS alay, Tamil Nadu, India mil Nadu, India function, metabolism, and molecular ological problems in the ideal way. m. PDTDB (Phytochemical and Drug ntains information about the plants al properties), ligands (3D molecular ties), therapeutic drug targets (3D ease nature, and disease symptoms), ction, home remedies, and docking s, therapeutic targets, plants, and umber search, similar phytochemical ture in the chemical structure editor, binding structure search, and browse upports predicting physicochemical ion of structures in various models. mons Attribution License, which permits hemicals’ Role in Good Health, ts and Vegetables, 2016; A-Z of Benefits, 2016). But some of the ge its chemical structure during al decomposition and chemical 2014). The success of natural , it consists of unique and more s while compared to synthetic shnamoorthy and Subramaniam, ection of binding regions in the phytochemicals is more (Lahlou, aceutical companies and R&D their interest in discovering m the natural products for life 2007). In fact, it is estimated that nes is either natural products or etic) therefrom (Newman and ragg, 2007; Cragg and Newman, in modern drug discovery, structure and pharmacokinetic micals were identified. Despite s out there which are yet to be INTERNATIONAL JOURNAL OF CURRENT RESEARCH for plant metabolites and therapeutic