Search Results - "Vasavi, C.S."
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Exploring the drug resistance mechanism of active site, non-active site mutations and their cooperative effects in CRF01_AE HIV-1 protease: molecular dynamics simulations and free energy calculations
Published in Journal of biomolecular structure & dynamics (03-07-2019)“…Human immunodeficiency virus type 1 protease is essential for virus replication and maturation and has been considered as one of the important drug target for…”
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Evaluation of DNA/Protein interactions and cytotoxic studies of copper(II) complexes incorporated with N, N donor ligands and terpyridine ligand
Published in International journal of biological macromolecules (01-02-2017)“…[Display omitted] A series of four new heteroleptic derivatives of copper(II) synthesized and structurally characterized as a distorted square-pyramidal…”
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Design, synthesis and identification of novel coumaperine derivatives for inhibition of human 5-LOX: Antioxidant, pseudoperoxidase and docking studies
Published in Bioorganic & medicinal chemistry (15-02-2019)“…Pepper based compounds developed as potent 5-LOX inhibitors. Coumaperine derivatives substituted with multiple methoxy and hydroxyl groups exhibited high 5-LOX…”
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Synthesis, spectroscopic characterization and in vitro studies of new heteroleptic copper (II) complexes derived from 2-hydroxy napthaldehyde Schiff’s bases and N, N donor ligands: Antimicrobial, DNA binding and cytotoxic investigations
Published in Inorganica Chimica Acta (01-07-2015)“…Eight novel metallacyclic derivatives of copper (II) have been synthesized and structurally characterized as a pent-coordination around central metal…”
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2,3-Dihydroquinazolin-4(1H)-ones: Visible light mediated synthesis, solvatochromism and biological activity
Published in Journal of photochemistry and photobiology. B, Biology (01-02-2015)“…[Display omitted] •2,3-Dihydroquinazolin-4(1H)-ones synthesized under visible light.•Solvatochromism studies have been carried out.•In vitro anti-inflammatory…”
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Drug Resistance Mechanism of L10F, L10F/N88S and L90M mutations in CRF01_AE HIV-1 protease: Molecular dynamics simulations and binding free energy calculations
Published in Journal of molecular graphics & modelling (01-08-2017)“…[Display omitted] •The molecular basis of NFV resistance due to strongly linked L10F/N88S mutation and L90M mutation in AE-protease was analyzed.•Due to…”
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In Silico Molecular Docking and In Vitro Antidiabetic Studies of Dihydropyrimido[4,5-a]acridin-2-amines
Published in BioMed research international (01-01-2014)“…An in vitro antidiabetic activity on α-amylase and α–glucosidase activity of novel…”
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Computational Modeling and Simulation of Biomolecular Motors
Published in 2009 International Conference on Advances in Computing, Control, and Telecommunication Technologies (01-12-2009)“…Molecular motors can be considered as biological molecular devices that are indispensable agents or machines for movement in living organisms. The most common…”
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