A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study
Choubey, Sanjay K., Jeyaraman, Jeyakanthan
Published in Journal of molecular graphics & modelling (01.11.2016)
Published in Journal of molecular graphics & modelling (01.11.2016)
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Journal Article
HTNpedia: A Knowledge Base for Hypertension Research
Loganathan, Lakshmanan, Jeyaraman, Jeyakanthan, Muthusamy, Karthikeyan
Published in Combinatorial chemistry & high throughput screening (01.01.2024)
Published in Combinatorial chemistry & high throughput screening (01.01.2024)
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Molecular dynamics simulation of Toxin‐Antitoxin (TA) system in Acinetobacter baumannii to explore the novel mechanism for inhibition of cell wall biosynthesis: Zeta Toxin as an effective therapeutic target
Karthika, Alagesan, Ramachandran, Balajee, Chitra, Jeyarajpandian, Prabhu, Dhamodharan, Rajamanikandan, Sundaraj, Veerapandiyan, Malaisamy, Jeyakanthan, Jeyaraman
Published in Journal of cellular biochemistry (01.12.2021)
Published in Journal of cellular biochemistry (01.12.2021)
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Phyto-Engineered Gold Nanoparticles (AuNPs) with Potential Antibacterial, Antioxidant, and Wound Healing Activities Under in vitro and in vivo Conditions
Boomi, Pandi, Ganesan, Ramalingam, Prabu Poorani, Gurumallesh, Jegatheeswaran, Sonamuthu, Balakumar, Chandrasekaran, Gurumallesh Prabu, Halliah, Anand, Krishnan, Marimuthu Prabhu, Narayanasamy, Jeyakanthan, Jeyaraman, Saravanan, Muthupandian
Published in International journal of nanomedicine (01.01.2020)
Published in International journal of nanomedicine (01.01.2020)
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Journal Article
In silico approaches for the identification of potential allergens among hypothetical proteins from Alternaria alternata and its functional annotation
Sundararaj, Rajamanikandan, Mathimaran, Amala, Prabhu, Dhamodharan, Ramachandran, Balajee, Jeyaraman, Jeyakanthan, Muthupandian, Saravanan, Asmelash, Tsehaye
Published in Scientific reports (20.03.2024)
Published in Scientific reports (20.03.2024)
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Journal Article
Investigation of translation initiation factor through protein-protein interactions and molecular dynamics approaches
Jayaprakash, Prajisha, Biswal, Jayashree, Pandian, Chitra Jeyaraj, Kingsley, Jemima, Jeyakanthan, Jeyaraman
Published in Molecular simulation (24.07.2023)
Published in Molecular simulation (24.07.2023)
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Journal Article
Performance of Force-Field- and Machine Learning-Based Scoring Functions in Ranking MAO-B Protein-Inhibitor Complexes in Relevance to Developing Parkinson's Therapeutics
Murugan, Natarajan Arul, Muvva, Charuvaka, Jeyarajpandian, Chitra, Jeyakanthan, Jeyaraman, Subramanian, Venkatesan
Published in International journal of molecular sciences (16.10.2020)
Published in International journal of molecular sciences (16.10.2020)
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pH-Dependent conformational stability of SpeB from Thermus thermophilus HB8: insights from molecular dynamics simulation
Veerapandian, Malaisamy, Hemavathy, Nagarajan, Karthika, Alagesan, Manikandan, Jayaraman, Vetrivel, Umashankar, Jeyakanthan, Jeyaraman
Published in Molecular simulation (11.02.2024)
Published in Molecular simulation (11.02.2024)
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Molecular mechanism of anti-cancer activity of phycocyanin in triple-negative breast cancer cells
Ravi, Mathangi, Tentu, Shilpa, Baskar, Ganga, Rohan Prasad, Surabhi, Raghavan, Swetha, Jayaprakash, Prajisha, Jeyakanthan, Jeyaraman, Rayala, Suresh K, Venkatraman, Ganesh
Published in BMC cancer (23.10.2015)
Published in BMC cancer (23.10.2015)
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Characterization of the NiRAN domain from RNA-dependent RNA polymerase provides insights into a potential therapeutic target against SARS-CoV-2
Dwivedy, Abhisek, Mariadasse, Richard, Ahmad, Mohammed, Chakraborty, Sayan, Kar, Deepsikha, Tiwari, Satish, Bhattacharyya, Sankar, Sonar, Sudipta, Mani, Shailendra, Tailor, Prafullakumar, Majumdar, Tanmay, Jeyakanthan, Jeyaraman, Biswal, Bichitra Kumar
Published in PLoS computational biology (13.09.2021)
Published in PLoS computational biology (13.09.2021)
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Computational screening of potential inhibitors targeting MurF of Brugia malayi Wolbachia through multi-scale molecular docking, molecular dynamics and MM-GBSA analysis
Poopandi, Saritha, Sundaraj, Rajamanikandan, Rajmichael, Raji, Thangaraj, Sindhu, Dhamodharan, Prabhu, Biswal, Jayashree, Malaisamy, Veerapandiyan, Jeyaraj Pandian, Chitra, Jeyaraman, Jeyakanthan
Published in Molecular and biochemical parasitology (01.11.2021)
Published in Molecular and biochemical parasitology (01.11.2021)
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Journal Article
Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate
Biswas, Ansuman, Shukla, Arpit, Chaudhary, Santosh Kumar, Santhosh, Rajendran, Jeyakanthan, Jeyaraman, Sekar, Kanagaraj
Published in The FEBS journal (01.08.2017)
Published in The FEBS journal (01.08.2017)
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Journal Article
Triphenylphosphonium conjugated gold nanotriangles impact Pi3K/AKT pathway in breast cancer cells: a photodynamic therapy approach
Vinita, Nadar Manimaran, Devan, Umapathy, Durgadevi, Sabapathi, Anitha, Selvaraj, Prabhu, Dhamodharan, Rajamanikandan, Sundarraj, Govarthanan, Muthusamy, Yuvaraj, Ananthanarayanan, Biruntha, Muniyandi, Antony Joseph Velanganni, Arockiam, Jeyakanthan, Jeyaraman, Prakash, Pitchan Arul, Mohamed Jaabir, Mohamed Sultan, Kumar, Ponnuchamy
Published in Scientific reports (08.02.2023)
Published in Scientific reports (08.02.2023)
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Journal Article
Designing specific inhibitors against dihydrofolate reductase of W. bancrofti towards drug discovery for lymphatic filariasis
Sureshan, Muthusamy, Rajamanikandan, Sundarraj, Srimari, Srikanth, Prabhu, Dhamodharan, Jeyakanthan, Jeyaraman, Saraboji, Kadhirvel
Published in Structural chemistry (01.06.2022)
Published in Structural chemistry (01.06.2022)
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Investigation of vital pathogenic target orotate phosphoribosyltransferases (OPRTase) from Thermus thermophilus HB8: Phylogenetic and molecular modeling approach
Surekha, Kanagarajan, Prabhu, Damodharan, Richard, Mariadasse, Nachiappan, Mutharasappan, Biswal, Jayashree, Jeyakanthan, Jeyaraman
Published in Gene (01.06.2016)
Published in Gene (01.06.2016)
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Small peptide inhibitor from the sequence of RUNX3 disrupts PAK1–RUNX3 interaction and abrogates its phosphorylation-dependent oncogenic function
Kanumuri, Rahul, Chelluboyina, Aruna Kumar, Biswal, Jayashree, Vignesh, Ravichandran, Pandian, Jaishree, Venu, Akkanapally, Vaishnavi, B., Leena, DJ, Jeyaraman, Jeyakanthan, Ganesan, Kumaresan, Aradhyam, Gopala Krishna, Venkatraman, Ganesh, Rayala, Suresh K.
Published in Oncogene (26.08.2021)
Published in Oncogene (26.08.2021)
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Structural Modeling of Drosophila melanogaster Gut Cytochrome P450s and Docking Comparison of Fruit Fly Gut and Human Cytochrome P450s
Nirusimhan, Vijay, Andrew Gideon, Daniel, Parashar, Abhinav, Jeyachandran, Sangavi, Jeyaraman, Jeyakanthan, Subbaraj, Gowthamkumar, Kulanthaivel, Langeswaran
Published in Current drug metabolism (01.04.2022)
Published in Current drug metabolism (01.04.2022)
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