Bioinformatics and Biomedical Engineering

Open Data:

Intro -- Preface -- Organization -- Contents - Part I -- Contents - Part II -- High-throughput Genomics: Bioinformatic Tools and Medical Applications -- A Coarse-Grained Representation for Discretizable Distance Geometry with Interval Data -- 1 Introduction -- 2 The Branch-and-Prune Algorithm -- 3 A Coarse-Grained Representation -- 4 A Spectral Projected Gradient -- 5 Preliminary Computational Experiments -- 6 Conclusions -- References -- Fragment-Based Drug Design to Discover Novel Inhibitor of Dipeptidyl Peptidase-4 (DPP-4) as a Potential Drug for Type 2 Diabetes Therapy -- Abstract -- 1 Introduction -- 2 Research Methodology -- 2.1 Preparation of DPP-4 Protein Structure and Standard Ligands -- 2.2 Pharmacophore Generation -- 2.3 Selecting and Growing Potential Fragment -- 2.4 Virtual Screening and Molecular Docking -- 2.5 ADME and Toxicity Prediction -- 3 Results and Discussions -- 3.1 Visualization of Protein and Pharmacophore Features -- 3.2 Fragment Growing Process -- 3.3 Molecular Docking Simulation -- 3.4 ADME and Toxicity Prediction -- 4 Conclusion -- Acknowledgment -- References -- Discovery of Novel Alpha-Amylase Inhibitors for Type II Diabetes Mellitus Through the Fragment-Based Drug Design -- Abstract -- 1 Introduction -- 2 Material and Method -- 2.1 Preparation of Alpha-Amylase -- 2.2 Preparation of Natural Product Fragments and Standard Molecules -- 2.3 Molecular Docking Simulation of Standard Ligand and Protein-Ligand Interaction Fingerprint (PLIF) -- 2.4 Molecular Docking Simulation of Natural Product Fragments and Fragment Merging -- 2.5 Molecular Docking of Ligands -- 2.6 Pharmacological Prediction -- 3 Results and Discussion -- 3.1 Visualization of Alpha-Amylase -- 3.2 Initial Screening of Natural Product Fragments -- 3.3 Protein-Ligand Interaction Fingerprints (PLIF)

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