Saravanan Kandasamy
Saravanan Kandasamy
Faculty of Chemistry, University of Warsaw, Poland
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Exploring the binding interaction mechanism of taxol in β-tubulin and bovine serum albumin: A biophysical approach
S Karthikeyan, G Bharanidharan, S Ragavan, S Kandasamy, ...
Molecular pharmaceutics 16 (2), 669-681, 2019
Understanding the conformational flexibility and electrostatic properties of curcumin in the active site of rhAChE via molecular docking, molecular dynamics, and charge density …
K Saravanan, C Kalaiarasi, P Kumaradhas
Journal of Biomolecular Structure and Dynamics 35 (16), 3627-3647, 2017
Comparative Binding Analysis of N-Acetylneuraminic Acid in Bovine Serum Albumin and Human α-1 Acid Glycoprotein
S Karthikeyan, G Bharanidharan, S Ragavan, S Kandasamy, ...
Journal of chemical information and modeling 59 (1), 326-338, 2018
Investigation of intermolecular interactions and stability of verubecestat in the active site of BACE1: Development of first model from QM/MM-based charge density and MD analysis
K Saravanan, M Sivanandam, G Hunday, L Mathiyalagan, P Kumaradhas
Journal of Biomolecular Structure and Dynamics 37 (9), 2339-2354, 2019
A cytotoxicity, optical spectroscopy and computational binding analysis of 4‐[3‐acetyl‐5‐(acetylamino)‐2‐methyl‐2, 3‐dihydro‐1, 3, 4‐thiadiazole‐2‐yl] phenyl benzoate in calf …
S Karthikeyan, G Bharanidharan, R Mangaiyarkarasi, S Chinnathambi, ...
Luminescence 33 (4), 731-741, 2018
Binding and stability of indirubin-3-monoxime in the GSK3β enzyme: a molecular dynamics simulation and binding free energy study
K Saravanan, G Hunday, P Kumaradhas
Journal of Biomolecular Structure and Dynamics 37, 2019
Molecular modelling and dynamic simulation of UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) from Mycobacterium tuberculosis using in silico approach
MA Isa, RS Majumdar, S Haider, S Kandasamy
Informatics in Medicine Unlocked 12, 56-66, 2018
Purification of fucoxanthin from Sargassum wightii Greville and understanding the inhibition of angiotensin 1-converting enzyme: An in vitro and in silico studies
V Raji, C Loganathan, G Sadhasivam, S Kandasamy, K Poomani, ...
International journal of biological macromolecules 148, 696-703, 2020
Topological and electrostatic properties of diclofenac molecule as a non-steroidal anti-inflammatory drug: An experimental and theoretical study
RN Devi, AD Stephen, P Justin, K Saravanan, P Macchi, C Jelsch
Journal of Molecular Structure 1196, 42-53, 2019
Insights into intermolecular interactions, electrostatic properties and the stability of C646 in the binding pocket of p300 histone acetyltransferase enzyme: a combined …
M Sivanandam, K Saravanan, P Kumaradhas
Journal of Biomolecular Structure and Dynamics 36 (12), 3246-3264, 2018
In vitro and in silico analysis of novel astaxanthin-s-allyl cysteine as an inhibitor of butyrylcholinesterase and various globular forms of acetylcholinesterases
P Sakayanathan, C Loganathan, S Kandasamy, RV Ramanna, ...
International journal of biological macromolecules 140, 1147-1157, 2019
Acylguanidine-BACE1 complex: Insights of intermolecular interactions and dynamics
K Saravanan, P Kumaradhas
Journal of theoretical biology 464, 33-49, 2019
Synthesis, X-ray crystal structure and DFT calculations of 2′, 4′-dihydro-10H-spiro [anthracene-9, 3′-benzo [b][1, 4] thiazin]-10-amine and 1, 3, 5-triindolyl benzene
K Somarathinam, S Velautham, R Perumal, S Kandasamy, S Srinivasan, ...
Chemical Data Collections 21, 100227, 2019
Isolation and Structural Elucidation of Allantoin a Bioactive Compound from Cleome viscosa L.: A Combined Experimental and Computational Investigation
G Lakshmanan, C Sivaraj, A Ammar, S Gopinath, K Saravanan, ...
Pharmacognosy Journal 11 (6s), 2019
Discovery of new potential triplet acting inhibitor for Alzheimer’s disease via X-ray crystallography, molecular docking and molecular dynamics
M Sivakumar, K Saravanan, V Saravanan, S Sugarthi, SM Kumar, ...
Journal of Biomolecular Structure and Dynamics 38 (7), 1903-1917, 2020
Exploring the different environments effect of piperine via combined crystallographic, QM/MM and molecular dynamics simulation study
K Saravanan, M Sivanandam, G Hunday, MS Pavan, P Kumaradhas
Journal of Molecular Graphics and Modelling 92, 280-295, 2019
Binding studies of known molecules with acetylcholinesterase and bovine serum albumin: A comparative view
K Saravanan, S Karthikeyan, S Sugarthi, AD Stephen
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 259, 119856, 2021
4-Hydroxycoumarin Derivative: N-(diphenylmethyl)-2-[(2-oxo-2H-chromen-4-yl) oxy] acetamide Interaction with Human Serum Albumin
S Chinnathambi, S Karthikeyan, M Rajendiran, K Udayakumar, ...
Journal of Spectroscopy 2018, 2018
In silico, theoretical biointerface analysis and in vitro kinetic analysis of amine compounds interaction with acetylcholinesterase and butyrylcholinesterase
S Kandasamy, C Loganathan, P Sakayanathan, S Karthikeyan, ...
International Journal of Biological Macromolecules 185, 750-760, 2021
Strong Binding of Leupeptin with TMPRSS2 Protease May Be an Alternative to Camostat and Nafamostat for SARS-CoV-2 Repurposed Drug: Evaluation from Molecular Docking and …
J Ramakrishnan, S Kandasamy, A Iruthayaraj, S Magudeeswaran, ...
Applied biochemistry and biotechnology 193 (6), 1909-1923, 2021
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