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Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

ISSN: 0975-413X
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Shirin Jamshidi

Institute of Pharmaceutical Science, King’s College London, London, SE1 9NH, UK

Publications

  • Research Article   
    Design of New Inhibitors of Dipeptidyl Peptidase-4 in Type 2 Diabetes by Computer Simulations
    Author(s): Hicham Ayachi, Shirin Jamshidi, Meriem Merad, Yassine Bendiabdallah, Said Ghalem and Khondaker Miraz Rahman

    The techniques of molecular modelling are widely used in chemistry, biology and the pharmaceutical industry. Most current drugs target enzymes. This theoretical approach allows us to predict the mode of interaction of a ligand with its receptor. Inhibition of Dipeptidyl Peptidase-4 “DPP-4” is an important approach in the treatment of disease in Type 2 diabetes. Several inhibitors have already been identified, but their affinity is insufficient to consider any of them being a pharmacological development. High-affinity inhibitors are used to inhibit DPP-4 as Linagliptin, Sitagliptin, Vildagliptin, Saxagliptin and Alogliptin but also as an adjuvant therapy for the treatment of Type 2 diabetes. It is for this purpose that molecular modelling techniques like docking and molecular dynamics have been developed. The results obtained in this work show t.. Read More»

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