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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Editor-in-Chief:
Rathnam Chaguturu
iDDPartners, 3 Edith Court
Princeton Junction
NJ 08550
USA


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Current: 1.222
5 - Year: 1.517

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
View Abstract
Prediction of bioactive compounds using computed NMR chemical shifts
Muthukumarasamy Karthikeyan, Pattuparambil Ramanpillai Rajamohanan and Renu Vyas
View Abstract
Role of Chemical Reactivity and Transition State Modeling for Virtual Screening
Muthukumarasamy Karthikeyan, Renu Vyas, S.S. Tambe, Deepthi Radhamohan and B.D. Kulkarni
View Abstract
Chemoinformatics approach for building molecular networks from marine organisms
M. Karthikeyan, Deepika Nimje, Rakhi Pahujani, Kushal Tyagi, Sanket Bapat, Renu Vyas and K. Padmakumar
View Abstract
Pharmacophore and docking based virtual screening of validated Mycobacterium
Renu Vyas, Muthukumarasamy Karthikeyan, Ganesh Nainaru and Muthukrishnan M
View Abstract
Protein ligand complex guided approach for virtual screening
Karthikeyan M, Deepak Pandit and Renu Vyas
View Abstract
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
View Abstract
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
View Abstract
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
View Abstract
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
View Abstract
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
View Abstract
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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