Inventi Impact - Molecular Modeling
Current Issue : January - March 2019
Volume : 2019
Issue Number : 1
Articles : 5 Articles
Articles
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Inventi:pmm/27822/18
Molecular Modeling Applied to Nucleic Acid-Based Molecule Development
Molecular modeling by means of docking and molecular dynamics (MD) has become an integral part of early drug discovery projects, enabling the screening and enrichment of large libraries of small molecules. In the past decades, special emphasis was drawn to nucleic acid (NA)-based molecules in the fi....
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Inventi:pmm/27823/18
In Silico SAR Studies of HIV-1 Inhibitors
Quantitative Structure Activity Relationships (QSAR or SAR) have helped scientists to establish mathematical relationships between molecular structures and their biological activities. In the present article, SAR studies have been carried out on 89 tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine (TIB....
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Inventi:pmm/27825/18
Exploring the Therapeutic Ability of Fenugreek Against Type 2 Diabetes and Breast Cancer Employing Molecular Docking and Molecular Dynamics Simulations
Fenugreek (Trigonella foenum-graecum) is used as a spice throughout the world. It is known for its medicinal properties such as antidiabetic, anticarcinogenic, and immunological activities. The present study shows the properties and the nutritional quality of fenugreek seed extract and focuses on sc....
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Inventi:pmm/27826/18
Molecular Analysis and Modeling of Hepatitis E Virus Helicase and Identification of Novel Inhibitors by Virtual Screening
The hepatitis E virus- (HEV-) helicase as a novel drug-target was evaluated. While cell culture model was used for mutational characterization of helicase, in silico protein modeling and virtual screening were employed to identify helicase inhibitors. None of the saturation mutant replicons signific....
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