J
Jeyasigamani F. A. Selvin
Researcher at Manonmaniam Sundaranar University
Publications - 9
Citations - 87
Jeyasigamani F. A. Selvin is an academic researcher from Manonmaniam Sundaranar University. The author has contributed to research in topics: Binding selectivity & Binding site. The author has an hindex of 5, co-authored 9 publications receiving 74 citations.
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Theoretical Investigation on the Binding Specificity of Sialyldisaccharides with Hemagglutinins of Influenza A Virus by Molecular Dynamics Simulations
Thanu R. K. Priyadarzini,Jeyasigamani F. A. Selvin,M. Michael Gromiha,Kazuhiko Fukui,K. Veluraja +4 more
TL;DR: 10-ns molecular dynamics simulations were carried out to examine the structural and dynamic behavior of the HAs bound with sialyldisaccharide-hemagglutinin Neu5Acα(2–3)Gal (N23G) and N26G and the proposed conformational models will be helpful in designing inhibitors for influenza virus.
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3DSDSCAR--a three dimensional structural database for sialic acid-containing carbohydrates through molecular dynamics simulation.
TL;DR: This work has developed three dimensional structural database for a sialic acid-containing carbohydrates (3DSDSCAR), an open-access database that provides 3D structural models of a given sialo-acid-containing carbohydrate.
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Insights into the binding specificity of wild type and mutated wheat germ agglutinin towards Neu5Acα(2-3)Gal: a study by in silico mutations and molecular dynamics simulations.
Ponnusamy Parasuraman,Veeramani Murugan,Jeyasigamani F. A. Selvin,M. Michael Gromiha,Kazuhiko Fukui,Kasinadar Veluraja +5 more
TL;DR: Double point mutated WGA (WGA3) exhibits increased specificity towards sialylgalactose, and thus, it can be effectively used in targeted drug delivery and as biological cell marker in cancer therapeutics.
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Molecular dynamics simulation and quantum mechanical calculations on α-d-N-acetylneuraminic acid
TL;DR: The optimized geometry of α-Neu5Ac which is in good agreement with the crystal structure ofα-D-N-acetyl-1-O-methylneuraminic acid methyl ester is deposited in the public domain database 3DSDSCAR and can be used by biotechnologists, biophysicists and glycobiologists for modelling the sialylglycans and also to design drugs using sialic acid analog inhibitors.
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Theoretical investigation on the glycan‐binding specificity of Agrocybe cylindracea galectin using molecular modeling and molecular dynamics simulation studies
Ponnusamy Parasuraman,Veeramani Murugan,Jeyasigamani F. A. Selvin,M. Michael Gromiha,Kazuhiko Fukui,K. Veluraja +5 more
TL;DR: The double point mutant of ACG2 galectin exhibits enhanced affinity towards α(2,3)‐linked sialyllactose, which can be effectively used as a model for biological cell marker in cancer therapeutics.