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360 Newest Publications in combinatorial chemistry

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MSD-MAP: A Network-Based Systems Biology Platform for Predicting Disease-Metabolite Links

28-Jun-2017 | Wathieu, Henri; T. Issa, Naiem; Mohandoss, Manisha; W. Byers, Stephen; Dakshanamurthy, Sivanesan, Combinatorial Chemistry, 2017

Abstract: Background: Cancer-associated metabolites result from cell-wide mechanisms of dysregulation. The field of metabolomics has sought to identify these aberrant metabolites as disease biomarkers, clues to understanding disease mechanisms, or even as therapeutic agents. Objective: This ...

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Exploration of New and Potent Lead Molecules Against CAAX Prenyl Protease I of Leishmania donovani Through Pharmacophore Based Virtual Screening Approach

28-Jun-2017 | Vijaya Prabhu, Sitrarasu; Tiwari, Kartikeya; Suryanarayanan, Venkatesan; Kumar Dubey, Vikash; Kumar Singh, Sanjeev, Combinatorial Chemistry, 2017

Abstract: Aim and Objective: Visceral leishmaniasis is a deadly disease left untreated in over 95% of cases. It is characterized by irregular bouts of fever, weight loss, enlargement of the spleen and liver, and anemia. It is highly endemic in the Indian subcontinent. CAAX prenyl protease I ...

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In silico Evidence for Binding of Pentacyclic Triterpenoids to Keap1-Nrf2 Protein-Protein Binding Site

28-Jun-2017 | M. Kamble, Sarika; M. Patel, Harun; N. Goyal, Sameer; N. Noolvi, Malleshappa; B. Mahajan, Umesh; Ojha, Shreesh; R. P ..., Combinatorial Chemistry, 2017

Abstract: Aim and Objective: Kelch like ECH-associated protein 1 (Keap1) and Nuclear factor-E2 related factor 2 (Nrf2) binding is a key step in the ubiquitination and degradation of Nrf2. The compounds inhibiting this binding exert antioxidant actions. Naturally occurring pentacyclic ...

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Combined Approach of QSAR and Docking Studies for the Design of Local Anaesthetic Agents

28-Jun-2017 | Zhang, Chunyan; Li, Zhi; Ma, Jiahai; Zhang, Jing; Zhang, Longming; Li, Tao; Zheng, Shijian, Combinatorial Chemistry, 2017

Abstract: Background: Heterocyclic scaffold, benzotriazole and its derivatives are potential anaesthetic agents that act locally. Objective: QSAR and docking analysis of previously synthesized benzotriazolyl derivatives were modelled for their local anaesthetic action using computer ...

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Protein Modeling and Molecular Dynamics Simulation of Cloned Regucalcin (RGN) Gene from Bubalus bubalis

28-Jun-2017 | Pillai, Harikrishna; Singh Yadav, Brijesh; Chaturvedi, Navaneet; Tasleem Jan, Arif; Kumar Gupta, Girish; Hassan Baig ..., Combinatorial Chemistry, 2017

Abstract: Background: Regucalcin (RGN), a calcium regulating protein having anti-prolific, antiapoptotic functions, plays important part in the biosynthesis of ascorbic acid. It is a highly conserved protein that has been reported from many tissue types of various vertebrate species. ...

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Metabolomics as a Functional Tool in Screening Gastro Intestinal Diseases: Where are we in High Throughput Screening?

28-Jun-2017 | Gundamaraju, Rohit; Vemuri, Ravichandra; Eri, Rajaraman; M. Ishiki, Hamilton; Coy-Barrera, Ericsson; Sastry Yarla, N ..., Combinatorial Chemistry, 2017

Abstract: Identifying novel bio markers in gastro intestinal disease is a promising method where a comprehensive analysis of the metabolome is performed. Metabolomics has evolved enormously in the past decade, paving a path in gastro intestinal disease research, especially diseases which lead to ...

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Synchronized Fast SPE and UFLC Methods for the Analyses of Eight Antidiabetic Drugs in Human Plasma

28-Jun-2017 | Ali, Imran; K. Dutta, Kamlesh; K. Jain, Arvind; A. Alothman, Zeid; Alwarthan, Abdulrahman, Combinatorial Chemistry, 2017

Abstract: Aim and Objective: The population of diabetic patients is rapidly increasing globally. The treatment of these patients is a complex phenomenon due to the use of the different drugs. The present article reports a synchronized fast SPE-UFLC separation of eight antidiabetic drugs in ...

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The Metabolomic Strategy in Tuberculosis Therapy

28-Jun-2017 | Kumar, Nitendra; Kumar Shreshtha, Ashwinee; Patra, Sanjukta, Combinatorial Chemistry, 2017

Abstract: Tuberculosis causes around 1.4 million deaths every year remaining to be a major cause of morbidity and mortality. Mycobacterium tuberculosis is adept at surviving the assault of our immune system, which has perplexed many researchers. Not only are they difficult to treat, but ...

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DephosSitePred: A High Accuracy Predictor for Protein Dephosphorylation Sites

13-Jun-2017 | Jia, Cangzhi; He, Wenying; Zou, Quan, Combinatorial Chemistry, 2017

Abstract: Aim and Objective: Protein tyrosine phosphatases (PTPs) are responsible for protein phosphorylation. Because the level of protein phosphorylation is correlated with tumor transformation, PTPs have been considered as candidate transformation suppressors. In this study, we developed ...

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A Two-layer Model to Identify Hepatitis B Virus Related Chronic Hepatitis and Liver Cirrhosis Based on Plasma microRNA Biomarkers

13-Jun-2017 | Hou, Ting; Wang, Zhen; Jin, Wenjing; Liu, Chenglin; Sun, Xiangying; Li, Ning; Zhang, Yonghong; Chen, Yu; Zhang, Weih ..., Combinatorial Chemistry, 2017

Abstract: Background: Accurate diagnosis of chronic Hepatitis B virus (HBV) infection related diseases is crucial to guide the therapy and to understand the mechanisms of disease progression. Plasma microRNAs, as stable biomarkers, have drawn significant attentions for distinguishing ...

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