C. Sudandiradoss
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View article: Habbe Gule Aakh prevents glycolytic program and alleviates disease progression in a rheumatoid arthritis animal model
Habbe Gule Aakh prevents glycolytic program and alleviates disease progression in a rheumatoid arthritis animal model Open
Background The acquired tumorigenic phenotype of the resident fibroblast like synoviocytes (FLS) is cornerstone to exacerbating rheumatoid arthritis (RA) disease progression. Toll like receptor 4 (TLR4) signalling can sustain the prolifera…
View article: Molecular dynamics simulations based siRNA design against GPR10 reveals stable RNAi therapeutics for hormone-dependent uterine fibroids
Molecular dynamics simulations based siRNA design against GPR10 reveals stable RNAi therapeutics for hormone-dependent uterine fibroids Open
View article: Neurogenic locus notch homolog protein 1 (Notch1) SNP informatics coupled with Intrinsically Disordered Region and Post Translational Modifications reveals the complex structural crosstalk of Lung Adenocarcinoma (LUAD)
Neurogenic locus notch homolog protein 1 (Notch1) SNP informatics coupled with Intrinsically Disordered Region and Post Translational Modifications reveals the complex structural crosstalk of Lung Adenocarcinoma (LUAD) Open
Lung adenocarcinoma (LUAD) is the foremost histological subtype among the lung cancer which is a fundamental root cause in the cancer mortality rate. Prominent documented modifications in lung cancer are notable rates of mutational and cro…
View article: Understanding a point mutation signature D54K in the caspase activation recruitment domain of NOD1 capitulating concerted immunity via atomistic simulation
Understanding a point mutation signature D54K in the caspase activation recruitment domain of NOD1 capitulating concerted immunity via atomistic simulation Open
Point mutation D54K in the human N-terminal caspase recruitment domain (CARD) of nucleotide-binding oligomerization domain −1 (NOD1) abrogates an imperative downstream interaction with receptor-interacting protein kinase (RIPK2) that entai…
View article: Discovery of andrographolide hit analog as a potent cyclooxygenase-2 inhibitor through consensus MD-simulation, electrostatic potential energy simulation and ligand efficiency metrics
Discovery of andrographolide hit analog as a potent cyclooxygenase-2 inhibitor through consensus MD-simulation, electrostatic potential energy simulation and ligand efficiency metrics Open
Cyclooxygenase-2 (COX-2) is the key enzyme responsible for the conversion of arachidonic acid to prostaglandins that display pro-inflammatory properties and thus, it is a potential target protein to develop anti-inflammatory drugs. In this…
View article: New simulation insights on the structural transition mechanism of bovine rhodopsin activation
New simulation insights on the structural transition mechanism of bovine rhodopsin activation Open
Inactive rhodopsin can absorb photons, which induces different structural transitions that finally activate rhodopsin. We have examined the change in spatial configurations and physicochemical factors that result during the transition mech…
View article: Andrographolide-based potential anti-inflammatory transcription inhibitors against nuclear factor NF-kappa-B p50 subunit (NF-κB p50): an integrated molecular and quantum mechanical approach
Andrographolide-based potential anti-inflammatory transcription inhibitors against nuclear factor NF-kappa-B p50 subunit (NF-κB p50): an integrated molecular and quantum mechanical approach Open
View article: Bioactivity of melianone against Salmonella and in silico prediction of a membrane protein target
Bioactivity of melianone against Salmonella and in silico prediction of a membrane protein target Open
View article: A molecular simulation analysis of vitamin D targets interleukin 13 (IL13) as an alternative to mometasone in asthma
A molecular simulation analysis of vitamin D targets interleukin 13 (IL13) as an alternative to mometasone in asthma Open
View article: Titanium dioxide nanoparticle–protein interaction explained by docking approach
Titanium dioxide nanoparticle–protein interaction explained by docking approach Open
Titanium dioxide has been proven for toxicity by in vitro and in vivo approaches, however, further studies are needed in nano-toxicological research using in silico analysis. In this study, Autodock 4.0.5 was used in an attempt to evaluate…
View article: Evaluation of peptide designing strategy against subunit reassociation in mucin 1: A steered molecular dynamics approach
Evaluation of peptide designing strategy against subunit reassociation in mucin 1: A steered molecular dynamics approach Open
Subunit reassociation in mucin 1, a breast cancer tumor marker, is reported as one of the critical factors for its cytoplasmic activation. Inhibition of its heterodimeric association would therefore result in loss of its function and alter…
View article: AROMATASE INHIBITORS - TYPES AND ADVANTAGES
AROMATASE INHIBITORS - TYPES AND ADVANTAGES Open
The role of aromatase inhibitors in the management of breast cancer has been promising as it markedly suppresses the production of estrogen. The inhibitors are very effective in postmenopausal women and used as the first line therapy for h…
View article: Casting the critical regions in nucleotide binding oligomerization domain 2 protein: a signature mediated structural dynamics approach
Casting the critical regions in nucleotide binding oligomerization domain 2 protein: a signature mediated structural dynamics approach Open
Nucleotide binding oligomerization domain 2 (NOD2), a protein involved in the first line defence mechanism has a pivotal role in innate immunity. Impaired function of this protein is implicated in disorders such as Blau syndrome and Crohn’…
View article: Putative amino acid positions for nickel coordination.
Putative amino acid positions for nickel coordination. Open
The table shows the probable combination of amino-acid occurrences for a 10 amino acid residue length within a 3Åcutoff distance from Nickel atom. The order and position of the residues were obtained from nickel chelates given in coordinat…
View article: Ab Initio Coordination Chemistry for Nickel Chelation Motifs
Ab Initio Coordination Chemistry for Nickel Chelation Motifs Open
Chelation therapy is one of the most appreciated methods in the treatment of metal induced disease predisposition. Coordination chemistry provides a way to understand metal association in biological structures. In this work we have impleme…
View article: Molecular characterization of CTX-M type Extended Spectrum Beta Lactamase producing E. coli isolated from humans and the environment
Molecular characterization of CTX-M type Extended Spectrum Beta Lactamase producing E. coli isolated from humans and the environment Open
The spatial presentation of GIS mapping allowed identification of clustering among patients and healthy individuals and contaminated environmental points.