Works matching AU Guruprasad, Lalitha
Results: 31
Characterization of defensin (Tfgd2) from Trigonella foenum-graecum.
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- Current Science (00113891), 2007, v. 93, n. 3, p. 365
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Macromolecular properties and partial amino acid sequence of a Kunitz-type protease inhibitor from okra (Abelmoschus esculentus) seeds.
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- Journal of Biosciences, 2019, v. 44, n. 2, p. N.PAG, doi. 10.1007/s12038-019-9859-5
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A transcriptional repressive role for epithelial-specific ETS factor ELF3 on oestrogen receptor alpha in breast cancer cells.
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- Biochemical Journal, 2016, v. 473, n. 8, p. 1047, doi. 10.1042/BCJ20160019
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Prediction of Certain Well-Characterized Domains of Known Functions within the PE and PPE Proteins of Mycobacteria.
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- PLoS ONE, 2016, v. 11, n. 2, p. 1, doi. 10.1371/journal.pone.0146786
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Structure Based Annotation of Helicobacter pylori Strain 26695 Proteome.
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- PLoS ONE, 2014, v. 9, n. 12, p. 1, doi. 10.1371/journal.pone.0115020
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Ligand-based 3-D pharmacophore generation and molecular docking of mTOR kinase inhibitors.
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- Journal of Molecular Modeling, 2012, v. 18, n. 4, p. 1611, doi. 10.1007/s00894-011-1184-3
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Identification of 3D motifs based on sequences and structures for binding to CFI‐400945, and deep screening‐based design of new lead molecules for PLK‐4.
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- Chemical Biology & Drug Design, 2021, v. 98, n. 4, p. 522, doi. 10.1111/cbdd.13908
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3D-QSAR and Molecular Docking Studies on Substituted Isothiazole Analogs as Inhibitors Against MEK-1 Kinase.
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- Chemical Biology & Drug Design, 2012, v. 79, n. 1, p. 84, doi. 10.1111/j.1747-0285.2011.01250.x
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Investigating the Regulation of Ribosomal Protein S6 Kinase 1 by CoAlation.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 16, p. 8747, doi. 10.3390/ijms25168747
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Three-dimensional models of <italic>Mycobacterium tuberculosis</italic> proteins Rv1555, Rv1554 and their docking analyses with sildenafil, tadalafil, vardenafil drugs, suggest interference with quinol binding likely to affect protein's function.
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- BMC Structural Biology, 2018, v. 18, n. 1, p. N.PAG, doi. 10.1186/s12900-018-0085-4
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Prokaryotic expression of a constitutively expressed Tephrosia villosa defensin and its potent antifungal activity.
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- Applied Microbiology & Biotechnology, 2008, v. 80, n. 6, p. 1023, doi. 10.1007/s00253-008-1648-2
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Structural Insights into the Active Site of Human Sodium Dependent Glucose Co-Transporter 2: Homology Modelling, Molecular Docking, and 3D-QSAR Studies.
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- Australian Journal of Chemistry, 2012, v. 65, n. 9, p. 1314, doi. 10.1071/CH12051
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Mutational analyses, pharmacophore-based inhibitor design and in silico validation for Zika virus NS3-helicase.
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- Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 19, p. 9873, doi. 10.1080/07391102.2023.2252929
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Dynamic conformational states of apo, ATP and cabozantinib bound TAM kinases to differentiate active-inactive kinetic models.
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- Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 21, p. 11394, doi. 10.1080/07391102.2022.2162128
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Computational studies on the design of NCI natural products as inhibitors to SARS-CoV-2 main protease.
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- Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 9, p. 3741, doi. 10.1080/07391102.2022.2054470
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Mutations in the receptor-binding domain of human SARS CoV-2 spike protein increases its affinity to bind human ACE-2 receptor.
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- Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 6, p. 2368, doi. 10.1080/07391102.2022.2032354
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Molecular mechanism of ATP and RNA binding to Zika virus NS3 helicase and identification of repurposed drugs using molecular dynamics simulations.
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- Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 23, p. 12642, doi. 10.1080/07391102.2021.1973909
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Enhanced metastable state models of TAM kinase binding to cabozantinib explains the dynamic nature of receptor tyrosine kinases.
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- Journal of Biomolecular Structure & Dynamics, 2021, v. 39, n. 4, p. 1213, doi. 10.1080/07391102.2020.1730968
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Homology modeling, docking and structure-based virtual screening for new inhibitor identification of Klebsiella pneumoniae heptosyltransferase-III.
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- Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 7, p. 1887, doi. 10.1080/07391102.2019.1624296
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Inhibitor binding studies of Mycobacterium tuberculosis MraY (Rv21 56c): Insights from molecular modeling, docking, and simulation studies.
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- Journal of Biomolecular Structure & Dynamics, 2019, v. 37, n. 14, p. 3751, doi. 10.1080/07391102.2018.1526715
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Structural insights into the inhibitor binding and new inhibitor design to Polo-like kinase-1 Polo-box domain using computational studies.
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- Journal of Biomolecular Structure & Dynamics, 2019, v. 37, n. 13, p. 3410, doi. 10.1080/07391102.2018.1515663
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Multiple e-pharmacophore modelling pooled with high-throughput virtual screening, docking and molecular dynamics simulations to discover potential inhibitors of Plasmodium falciparum lactate dehydrogenase (PfLDH).
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- Journal of Biomolecular Structure & Dynamics, 2019, v. 37, n. 7, p. 1783, doi. 10.1080/07391102.2018.1471417
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Discovery of novel inhibitors of Mycobacterium tuberculosis MurG: homology modelling, structure based pharmacophore, molecular docking, and molecular dynamics simulations.
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- Journal of Biomolecular Structure & Dynamics, 2018, v. 36, n. 12, p. 3184, doi. 10.1080/07391102.2017.1384398
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Protein Structure.
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- Resonance: Journal of Science Education, 2019, v. 24, n. 3, p. 327, doi. 10.1007/s12045-019-0783-7
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Homology modeling of 5-lipoxygenase and hints for better inhibitor design.
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- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 9, p. 611, doi. 10.1007/s10822-008-9180-0
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Human SARS CoV‐2 spike protein mutations.
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- Proteins, 2021, v. 89, n. 5, p. 569, doi. 10.1002/prot.26042
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Evolutionary relationships and sequence‐structure determinants in human SARS coronavirus‐2 spike proteins for host receptor recognition.
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- Proteins, 2020, v. 88, n. 11, p. 1387, doi. 10.1002/prot.25967
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Synthesis, DFT and Molecular docking study of novel bis 1,2,3-triazole derivatives of 2-hydroxyquinoline-4-carboxylate as antimicrobial agents.
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- Indian Journal of Biochemistry & Biophysics, 2023, v. 60, n. 9, p. 729, doi. 10.56042/ijbb.v60i9.3877
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Ponatinib Is a Pan-BCR-ABL Kinase Inhibitor: MD Simulations and SIE Study.
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- PLoS ONE, 2013, v. 8, n. 11, p. 1, doi. 10.1371/journal.pone.0078556
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The PE16 (Rv1430) of <i>Mycobacterium tuberculosis</i> Is an Esterase Belonging to Serine Hydrolase Superfamily of Proteins.
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- PLoS ONE, 2013, v. 8, n. 2, p. 1, doi. 10.1371/journal.pone.0055320
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The PE-PPE Domain in Mycobacterium Reveals a Serine α/β Hydrolase Fold and Function: An In-Silico Analysis.
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- PLoS ONE, 2011, v. 6, n. 2, p. 1, doi. 10.1371/journal.pone.0016745
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