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Journal of Receptors and Signal Transduction Volume 34, 2014 - Issue 3
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Research Article

Virtual screening of LPXTG competitive SrtA inhibitors targeting signal transduction mechanism in Bacillus anthracis: a combined experimental and theoretical study

Chandrabose SelvarajComputer Aided Drug Design and Molecular Modeling Lab, Department of Bioinformatics, Alagappa University Karaikudi, Tamil NaduIndia
,
Jeyachandran SivakamavalliCrustacean Molecular Biology & Genomics Lab, Department of Animal Health and Management, Alagappa University Karaikudi, Tamil NaduIndia
,
Vaseeharan BaskaralingamCrustacean Molecular Biology & Genomics Lab, Department of Animal Health and Management, Alagappa University Karaikudi, Tamil NaduIndia
&
Sanjeev Kumar SinghComputer Aided Drug Design and Molecular Modeling Lab, Department of Bioinformatics, Alagappa University Karaikudi, Tamil NaduIndiaCorrespondence[email protected]
Pages 221-232 | Received 17 Nov 2013, Accepted 12 Dec 2013, Published online: 03 Feb 2014

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Chandrabose Selvaraj, Dhurvas Chandrasekaran Dinesh, Umesh Panwar, Rajaram Abhirami, Evzen Boura & Sanjeev Kumar Singh. (2021) Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against COVID-19. Journal of Biomolecular Structure and Dynamics 39:13, pages 4582-4593.
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Sitrarasu Vijaya Prabhu & Sanjeev Kumar Singh. (2018) Atom-based 3D-QSAR, induced fit docking, and molecular dynamics simulations study of thieno[2,3-b]pyridines negative allosteric modulators of mGluR5. Journal of Receptors and Signal Transduction 38:3, pages 225-239.
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Bhuvaneshwari Sampath & Kavitha Sankaranarayanan. (2016) Glu106 targeted inhibitors of ORAI1 as potential Ca2+ release-activated Ca2+ (CRAC) channel blockers – molecular modeling and docking studies. Journal of Receptors and Signal Transduction 36:6, pages 572-585.
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Articles from other publishers (10)

Abdulaziz S. Alothaim. (2023) Mechanisms of CO2 reduction in bacteria based on molecular studies of formate dehydrogenase (FDH) enzymes. Journal of King Saud University - Science 35:10, pages 102939.
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Chandrabose Selvaraj, Dhurvas Chandrasekaran Dinesh, Emilia Maria Pedone, Abdulaziz S Alothaim, Rajendran Vijayakumar, Ondippili Rudhra & Sanjeev Kumar Singh. (2023) SARS-CoV-2 ORF8 dimerization and binding mode analysis with class I MHC: computational approaches to identify COVID-19 inhibitors. Briefings in Functional Genomics 22:2, pages 227-240.
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Saleh Abdullah Aloyuni. (2021) In silico prediction of deleterious single nucleotide polymorphism in human AKR1C3 gene and identification of potent inhibitors using molecular docking approach. Journal of King Saud University - Science 33:6, pages 101514.
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Chandrabose Selvaraj, Dhurvas Chandrasekaran Dinesh, Umesh Panwar, Evzen Boura & Sanjeev Kumar Singh. (2021) High-Throughput Screening and Quantum Mechanics for Identifying Potent Inhibitors Against Mac1 Domain of SARS-CoV-2 Nsp3. IEEE/ACM Transactions on Computational Biology and Bioinformatics 18:4, pages 1262-1270.
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Rajan P. Adhikari. (2021) Staphylococcal Infections: Host and Pathogenic Factors. Microorganisms 9:5, pages 1080.
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Nikita Zrelovs, Viktorija Kurbatska, Zhanna Rudevica, Ainars Leonchiks & Davids Fridmanis. (2021) Sorting out the Superbugs: Potential of Sortase A Inhibitors among Other Antimicrobial Strategies to Tackle the Problem of Antibiotic Resistance. Antibiotics 10:2, pages 164.
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Saima Younis, Sameera Taj & Sajid Rashid. (2019) Structural studies of Staphylococcus aureus Sortase inhibiton via Conus venom peptides. Archives of Biochemistry and Biophysics 671, pages 87-102.
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Tae-Su Kim, Sanjay K. S. Patel, Chandrabose Selvaraj, Woo-Suk Jung, Cheol-Ho Pan, Yun Chan Kang & Jung-Kul Lee. (2016) A highly efficient sorbitol dehydrogenase from Gluconobacter oxydans G624 and improvement of its stability through immobilization. Scientific Reports 6:1.
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Rajagopalan Thaya, Balasubramanian Malaikozhundan, Sekar Vijayakumar, Jeyachandran Sivakamavalli, Raja Jeyasekar, Sathappan Shanthi, Baskaralingam Vaseeharan, Palaniappan Ramasamy & Avinash Sonawane. (2016) Chitosan coated Ag/ZnO nanocomposite and their antibiofilm, antifungal and cytotoxic effects on murine macrophages. Microbial Pathogenesis 100, pages 124-132.
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Chandrabose Selvaraj, Ankur OmerPoonam SinghSanjeev Kumar Singh. (2015) Molecular insights of protein contour recognition with ligand pharmacophoric sites through combinatorial library design and MD simulation in validating HTLV-1 PR inhibitors. Molecular BioSystems 11:1, pages 178-189.
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