ISSN: 1875-5402 (Online)
ISSN: 1386-2073 (Print)

Volume 18, 10 Issues, 2015

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Combinatorial Chemistry & High Throughput Screening

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Rathnam Chaguturu
iDDPartners, 3 Edith Court
Princeton Junction
NJ 08550

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Upcoming Articles (E-Pub Abstracts ahead of Print)

Discovery of Natural Product-derived 5-HT1A Receptor Binders by Cheminfomatics Modeling of Known Binders, High Throughput Screening and Experimental Validation
Man Luo, Terry-Elinor Reid and Xiang Simon Wang
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Design and Development of ChemInfoCloud: An Integrated Cloud Enabled Platform for Virtual Screening
Muthukumarasamy Karthikeyan, Deepak Pandit, Arvind Bhavasar and Renu Vyas
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MegaMiner: A tool for lead identification through text mining using chemoinformatics tools and cloud computing environment
Muthukumarasamy Karthikeyan, Yogesh Pandit, Deepak Pandit and Renu Vyas
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Prediction of bioactive compounds using computed NMR chemical shifts
Muthukumarasamy Karthikeyan, Pattuparambil Ramanpillai Rajamohanan and Renu Vyas
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Role of Chemical Reactivity and Transition State Modeling for Virtual Screening
Muthukumarasamy Karthikeyan, Renu Vyas, S.S. Tambe, Deepthi Radhamohan and B.D. Kulkarni
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Chemoinformatics approach for building molecular networks from marine organisms
M. Karthikeyan, Deepika Nimje, Rakhi Pahujani, Kushal Tyagi, Sanket Bapat, Renu Vyas and K. Padmakumar
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Pharmacophore and docking based virtual screening of validated Mycobacterium
Renu Vyas, Muthukumarasamy Karthikeyan, Ganesh Nainaru and Muthukrishnan M
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Protein ligand complex guided approach for virtual screening
Karthikeyan M, Deepak Pandit and Renu Vyas
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A Study of Applications of Machine Learning Based Classification methods for Virtual Screening of Lead Molecules
Renu Vyas, Sanket Bapat, Esha Jain, Sanjeev S. Tambe, M. Karthikeyan and B.D. Kulkarni
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ChemScreener: A Distributed Computing Tool for Scaffold based Virtual Screening
Muthukumarasamy Karthikeyan, Deepak Pandit and Renu Vyas
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Role of open source tools and resources in virtual screening for drug discovery
Muthukumarasamy Karthikeyan and Renu Vyas
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Synthesis and Biological Evaluation of Hexahydropyrrolo[2,3-b]indole Derivatives as Fungicides against Phytopathogenic Fungi
Jili Feng, Miaofeng Ma, Ruoxin Li, Shu–Wei Chen and Hui Xu
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Resisting the resistance in cancer: Cheminformatics studies on short-path base excision repair pathway antagonists using supervised learning approaches
Ritu Jain, Salma Jamal, Sukriti Goyal, Divya Wahi, Aditi Singh and Abhinav Grover
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Classification of Breast Cancer Resistant Protein (BCRP) Inhibitors and Non-inhibitors using Machine Learning Approaches
Vilas Belekar, Karthik Lingineni and Prabha Garg
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Simple and Efficient Route toward Ambient Preparation of Pyrimido[b]quinolinetriones using Copper (I) Iodide Nanoparticles in Aqueous Media
Shahrzad Abdolmohammadi and Zahra Aghaei-Meybodi
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Synthesis of 9H-furo [2,3-f]chromene derivatives by promoting of ZnO nanoparticles
Faramar Rostami-Charati, Zinatossadat Hossaini, Fatemeh Sheykholeslami-Farahani, Zahra Azizi and Seyyed Amir Siadati
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Design, synthesis, in silico and in vitro studies of substituted 1, 2, 3, 4-tetrahydro pyrimidine phosphorus derivatives
Kilaru Ravendra Babu, Yellapu Nanda Kumar, Aminedi Raghavendra, Venukadasula Phanindra, Kuruva Chandra Sekhar, Golla Madhava, Nuchu Ravi, Matcha Bhaskar and Chamarthi Naga Raju
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Fragment-Based QSAR and Structural Analysis of a Series of Hydroxyethylamine Derivatives as HIV-1 Protease Inhibitors
Leonardo G. Ferreira and Adriano D. Andricopulo
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High Cytotoxicity and Apoptotic Effects of Natural Bioactive Benzofuran Derivative on the MCF-7 Breast Cancer Cell Line
Afsane Soleimani, Jahanbakhsh Asadi, Faramarz Rostami-Charati and Roghaye Gharaei
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Screening for Potential Bioactive Components in Ginkgo Biloba Extract by the Rat Renal Tubular Epithelial Cell Extraction and LC-MS/MS
Ying Li, Yin-jie Li, Zheng Li, Jing-ying Qiu, Xiao-xiao Zheng, Ting-ting Bian, Feng-lei Gao, Yan-yan Yu, Dong-zhi Yang and Dao-quan Tang
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Nano Clinoptilolite: Highly Efficient Catalyst for the Synthesis of Chromene Derivatives Under Solvent-Free Conditions
Sara Hallajian, Mohammad A. Khalilzadeh, Mahgol Tajbakhsh, Eskandar Alipour and Zahra Safaei
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A High Throughput, 384-Well, Semi-Automated, Hepatocyte Intrinsic Clearance Assay for Screening New Molecular Entities in Drug Discovery
Lance Heinle, Vincent Peterkin, Sonia M. de Morais, Gary J. Jenkins and Ilaria Badagnani
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Determination of Antiproliferative Activities of Volatile Contents and HPLC Profiles of Dicranum scoparium (Dicranaceae, Bryophyta)
Gökhan Abay, Muhammed Altun, Serkan Koldaş, Ali Rıza Tüfekçi and Ibrahim Demirtas
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Ultrasonic Assisted Synthesis of Chromenes Catalyzed by Sodium Carbonate in Aqueous Media
Maryam Sabbaghan and Pegah Sofalgar
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