Works matching AU Guruprasad, Lalitha

Results: 31

Synthesis, DFT and Molecular docking study of novel bis 1,2,3-triazole derivatives of 2-hydroxyquinoline-4-carboxylate as antimicrobial agents.

Published in:

Indian Journal of Biochemistry & Biophysics, 2023, v. 60, n. 9, p. 729, doi. 10.56042/ijbb.v60i9.3877

By:

Rani, Kandukuri Usha;
Sharma, Gangavaram V. M.;
Saxena, Shalini;
Guruprasad, Lalitha;
Padmavathi, D. A.

Publication type:

Article

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.

Published in:

BMC Structural Biology, 2018, v. 18, n. 1, p. N.PAG, doi. 10.1186/s12900-018-0085-4

By:

Dash, Pallabini;
Bala Divya, M.;
Guruprasad, Lalitha;
Guruprasad, Kunchur

Publication type:

Article

Prediction of Certain Well-Characterized Domains of Known Functions within the PE and PPE Proteins of Mycobacteria.

Published in:

PLoS ONE, 2016, v. 11, n. 2, p. 1, doi. 10.1371/journal.pone.0146786

By:

Sultana, Rafiya;
Tanneeru, Karunakar;
Kumar, Ashwin B. R.;
Guruprasad, Lalitha

Publication type:

Article

Mutational analyses, pharmacophore-based inhibitor design and in silico validation for Zika virus NS3-helicase.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 19, p. 9873, doi. 10.1080/07391102.2023.2252929

By:

Durgam, Laxman;
Pagag, Jishu;
Indra Neela, Y.;
Guruprasad, Lalitha

Publication type:

Article

Dynamic conformational states of apo, ATP and cabozantinib bound TAM kinases to differentiate active-inactive kinetic models.

Published in:

Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 21, p. 11394, doi. 10.1080/07391102.2022.2162128

By:

Naresh, Gatta K. R. S.;
Guruprasad, Lalitha

Publication type:

Article

Computational studies on the design of NCI natural products as inhibitors to SARS-CoV-2 main protease.

Published in:

Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 9, p. 3741, doi. 10.1080/07391102.2022.2054470

By:

Durgam, Laxman;
Guruprasad, Lalitha

Publication type:

Article

Mutations in the receptor-binding domain of human SARS CoV-2 spike protein increases its affinity to bind human ACE-2 receptor.

Published in:

Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 6, p. 2368, doi. 10.1080/07391102.2022.2032354

By:

Naresh, Gatta K. R. S.;
Guruprasad, Lalitha

Publication type:

Article

Molecular mechanism of ATP and RNA binding to Zika virus NS3 helicase and identification of repurposed drugs using molecular dynamics simulations.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 23, p. 12642, doi. 10.1080/07391102.2021.1973909

By:

Durgam, Laxman;
Guruprasad, Lalitha

Publication type:

Article

Enhanced metastable state models of TAM kinase binding to cabozantinib explains the dynamic nature of receptor tyrosine kinases.

Published in:

Journal of Biomolecular Structure & Dynamics, 2021, v. 39, n. 4, p. 1213, doi. 10.1080/07391102.2020.1730968

By:

Naresh, Gatta K. R. S.;
Guruprasad, Lalitha

Publication type:

Article

Homology modeling, docking and structure-based virtual screening for new inhibitor identification of Klebsiella pneumoniae heptosyltransferase-III.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 7, p. 1887, doi. 10.1080/07391102.2019.1624296

By:

Panda, Saroj Kumar;
Saxena, Shalini;
Guruprasad, Lalitha

Publication type:

Article

Inhibitor binding studies of Mycobacterium tuberculosis MraY (Rv21 56c): Insights from molecular modeling, docking, and simulation studies.

Published in:

Journal of Biomolecular Structure & Dynamics, 2019, v. 37, n. 14, p. 3751, doi. 10.1080/07391102.2018.1526715

By:

Mallavarapu, Bala Divya;
Abdullah, Maaged;
Saxena, Shalini;
Guruprasad, Lalitha

Publication type:

Article

Structural insights into the inhibitor binding and new inhibitor design to Polo-like kinase-1 Polo-box domain using computational studies.

Published in:

Journal of Biomolecular Structure & Dynamics, 2019, v. 37, n. 13, p. 3410, doi. 10.1080/07391102.2018.1515663

By:

Abdullah, Maaged;
Guruprasad, Lalitha

Publication type:

Article

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).

Published in:

Journal of Biomolecular Structure & Dynamics, 2019, v. 37, n. 7, p. 1783, doi. 10.1080/07391102.2018.1471417

By:

Saxena, Shalini;
Durgam, Laxman;
Guruprasad, Lalitha

Publication type:

Article

Discovery of novel inhibitors of Mycobacterium tuberculosis MurG: homology modelling, structure based pharmacophore, molecular docking, and molecular dynamics simulations.

Published in:

Journal of Biomolecular Structure & Dynamics, 2018, v. 36, n. 12, p. 3184, doi. 10.1080/07391102.2017.1384398

By:

Saxena, Shalini;
Abdullah, Maaged;
Sriram, Dharmarajan;
Guruprasad, Lalitha

Publication type:

Article

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.

Published in:

Chemical Biology & Drug Design, 2021, v. 98, n. 4, p. 522, doi. 10.1111/cbdd.13908

By:

Abdullah, Maaged;
Guruprasad, Lalitha

Publication type:

Article

3D-QSAR and Molecular Docking Studies on Substituted Isothiazole Analogs as Inhibitors Against MEK-1 Kinase.

Published in:

Chemical Biology & Drug Design, 2012, v. 79, n. 1, p. 84, doi. 10.1111/j.1747-0285.2011.01250.x

By:

Reddy, Bandi Madhusudhan;
Tanneeru, Karunakar;
Meetei, Potshangbam Angamba;
Guruprasad, Lalitha

Publication type:

Article

Macromolecular properties and partial amino acid sequence of a Kunitz-type protease inhibitor from okra (Abelmoschus esculentus) seeds.

Published in:

Journal of Biosciences, 2019, v. 44, n. 2, p. N.PAG, doi. 10.1007/s12038-019-9859-5

By:

Datta, Debparna;
Pohlentz, Gottfried;
Mondal, Saradamoni;
Divya, M Bala;
Guruprasad, Lalitha;
Mormann, Michael;
Swamy, Musti J

Publication type:

Article

Structural Insights into the Active Site of Human Sodium Dependent Glucose Co-Transporter 2: Homology Modelling, Molecular Docking, and 3D-QSAR Studies.

Published in:

Australian Journal of Chemistry, 2012, v. 65, n. 9, p. 1314, doi. 10.1071/CH12051

By:

Nakka, Srinivas;
Guruprasad, Lalitha

Publication type:

Article

Characterization of defensin (Tfgd2) from Trigonella foenum-graecum.

Published in:

Current Science (00113891), 2007, v. 93, n. 3, p. 365

By:

Olli, Sudar;
Guruprasad, Lalitha;
Kirti, P. B.

Publication type:

Article

A transcriptional repressive role for epithelial-specific ETS factor ELF3 on oestrogen receptor alpha in breast cancer cells.

Published in:

Biochemical Journal, 2016, v. 473, n. 8, p. 1047, doi. 10.1042/BCJ20160019

By:

Reddy Gajulapalli, Vijaya Narasihma;
Kumar Samanthapudi, Venkata Subramanyam;
Pulaganti, Madhusudana;
Khumukcham, Saratchandra Singh;
Malisetty, Vijaya Lakhsmi;
Guruprasad, Lalitha;
Chitta, Suresh Kumar;
Manavathi, Bramanandam

Publication type:

Article

Investigating the Regulation of Ribosomal Protein S6 Kinase 1 by CoAlation.

Published in:

International Journal of Molecular Sciences, 2024, v. 25, n. 16, p. 8747, doi. 10.3390/ijms25168747

By:

Malanchuk, Oksana;
Bdzhola, Anna;
Palchevskyi, Sergii;
Bdzhola, Volodymyr;
Chai, Peng;
Pardo, Olivier E.;
Seckl, Michael J.;
Banerjee, Adrija;
Peak-Chew, Sew Yeu;
Skehel, Mark;
Guruprasad, Lalitha;
Zhyvoloup, Alexander;
Gout, Ivan;
Filonenko, Valeriy

Publication type:

Article

Homology modeling of 5-lipoxygenase and hints for better inhibitor design.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 9, p. 611, doi. 10.1007/s10822-008-9180-0

By:

Aparoy, P.;
Reddy, R. N.;
Guruprasad, Lalitha;
Reddy, M. R.;
Reddanna, P.

Publication type:

Article

Prokaryotic expression of a constitutively expressed Tephrosia villosa defensin and its potent antifungal activity.

Published in:

Applied Microbiology & Biotechnology, 2008, v. 80, n. 6, p. 1023, doi. 10.1007/s00253-008-1648-2

By:

Vijayan, S.;
Guruprasad, Lalitha;
Kirti, P.

Publication type:

Article

Structure Based Annotation of Helicobacter pylori Strain 26695 Proteome.

Published in:

PLoS ONE, 2014, v. 9, n. 12, p. 1, doi. 10.1371/journal.pone.0115020

By:

Singh, Swati;
Guttula, Praveen Kumar;
Guruprasad, Lalitha

Publication type:

Article

Ponatinib Is a Pan-BCR-ABL Kinase Inhibitor: MD Simulations and SIE Study.

Published in:

PLoS ONE, 2013, v. 8, n. 11, p. 1, doi. 10.1371/journal.pone.0078556

By:

Tanneeru, Karunakar;
Guruprasad, Lalitha

Publication type:

Article

The PE16 (Rv1430) of <i>Mycobacterium tuberculosis</i> Is an Esterase Belonging to Serine Hydrolase Superfamily of Proteins.

Published in:

PLoS ONE, 2013, v. 8, n. 2, p. 1, doi. 10.1371/journal.pone.0055320

By:

Sultana, Rafiya;
Vemula, Mani Harika;
Banerjee, Sharmishta;
Guruprasad, Lalitha

Publication type:

Article

The PE-PPE Domain in Mycobacterium Reveals a Serine α/β Hydrolase Fold and Function: An In-Silico Analysis.

Published in:

PLoS ONE, 2011, v. 6, n. 2, p. 1, doi. 10.1371/journal.pone.0016745

By:

Sultana, Rafiya;
Tanneeru, Karunakar;
Guruprasad, Lalitha

Publication type:

Article

Human SARS CoV‐2 spike protein mutations.

Published in:

Proteins, 2021, v. 89, n. 5, p. 569, doi. 10.1002/prot.26042

By:

Guruprasad, Lalitha

Publication type:

Article

Evolutionary relationships and sequence‐structure determinants in human SARS coronavirus‐2 spike proteins for host receptor recognition.

Published in:

Proteins, 2020, v. 88, n. 11, p. 1387, doi. 10.1002/prot.25967

By:

Guruprasad, Lalitha

Publication type:

Article

Protein Structure.

Published in:

Resonance: Journal of Science Education, 2019, v. 24, n. 3, p. 327, doi. 10.1007/s12045-019-0783-7

By:

Guruprasad, Lalitha

Publication type:

Article

Ligand-based 3-D pharmacophore generation and molecular docking of mTOR kinase inhibitors.

Published in:

Journal of Molecular Modeling, 2012, v. 18, n. 4, p. 1611, doi. 10.1007/s00894-011-1184-3

By:

Tanneeru, Karunakar;
Guruprasad, Lalitha

Publication type:

Article