Search Results - "Thamotharan, Subbiah"

Crystal structure and computational analysis of 1,3-dioxo-2-phenyl-2,3-dihydro-1H-pyrrolo[3,4-c]quinoline 5-oxide, a caspase-3 inhibitor.

Authors: Thamotharan, Subbiah Prasanna Kumari, Subramaniyan Selva Ganesan, Subramaniapillai et al.

Source: Structural Chemistry. Jun2026, Vol. 37 Issue 3, p1249-1264. 16p.

Subjects: Caspase inhibitors, Molecular docking, Heterocyclic compounds, Van der Waals forces, Molecular recognition, Intermolecular interactions, Molecular models, Crystal structure

Editorial: Noncovalent interactions in N/O heterocycles.

Authors: Thamotharan, Subbiah Percino, M. Judith Gil, Diego Mauricio

Source: Frontiers in Chemistry. 2025, p1-2. 2p.

Comments on “influence of procion red dye doping on the structural, dielectric and optical properties of diglycine phthalic acid single crystals for nonlinear optical applications”.

Authors: Petrosyan, Aram M. Thamotharan, Subbiah Srinivasan, Bikshandarkoil R.

Source: Journal of Materials Science: Materials in Electronics; Jan2025, Vol. 36 Issue 1, p1-3, 3p

NHC Organocatalysis in D2O for the Highly Diastereoselective Synthesis of Deuterated Spiropyran Analogues.

Authors: Suresh, Pavithira Thamotharan, Subbiah Selva Ganesan, Subramaniapillai

Source: ChemistrySelect. 3/5/2021, Vol. 6 Issue 9, p2036-2040. 5p.

One-pot, efficient synthesis of fused quinoline analogues via room temperature C(sp³)–N cleavage/aromatization reaction.

Authors: Prasanna Kumari, Subramaniyan Thamotharan, Subbiah Selva Ganesan, Subramaniapillai

Source: New Journal of Chemistry. 2/7/2024, Vol. 8 Issue 4, p1489-1494. 6p.

Harnessing Indian Medicinal Phytochemicals Against Monkeypox Virus Thymidine Kinase: A Virtual Screening and Molecular Dynamics Simulation Study.

Authors: Marimuthu, Sathish Kumar Ramakrishnan, Vigneshwar Thamotharan, Subbiah

Source: ChemistrySelect. 6/18/2026, Vol. 11 Issue 23, p1-15. 15p.

In silico based virtual screening and mixed mode QM/MM calculation identifies caffeine scaffold for designing potential inhibitors for tyrosyl tRNA synthetase of M ycobacterium tuberculosis.

Authors: Sathya, Rajendran Thamotharan, Subbiah

Source: International Journal of Quantum Chemistry. Feb2015, Vol. 115 Issue 3, p187-195. 10p.

This result is not displayed to guests.
Login for full access.

Marine bacterial DNase curtails virulence and disrupts biofilms of Candida albicans and non-albicans Candida species.

Authors: Farisa Banu, Sanaulla Thamotharan, Subbiah Gowrishankar, Shanmugaraj et al.

Source: Biofouling. Oct2019, Vol. 35 Issue 9, p975-985. 11p.

Driving NHC organocatalysis on water through hydrophobic hydration for the synthesis of diverse heterocycles and carbocycles.

Authors: Suresh, Pavithira Thamotharan, Subbiah Ganesan, Subramaniapillai Selva

Source: Catalysis Communications. Jun2018, Vol. 111, p47-51. 5p.

Subjects: Organocatalysis, Hydrophobic compounds, Hydration, Heterocyclic compounds, Butyrolactones, Deuterium oxide

This result is not displayed to guests.
Login for full access.

Weak noncovalent interactions in 1,2,4-triazole-3-thione-linked adamantyl derivatives: experimental and computational insights into their potential as antiproliferative agents.

Authors: Al-Wahaibi, Lamya H. Chakraborty, Annesha Hassan, Hanan M. et al.

Source: Frontiers in Chemistry. 2025, p1-19. 19p.

Experimental and computational investigations of two N′-(adamantan-2-ylidene)-substituted benzohydrazide derivatives: crystal structures, antiproliferative activity, molecular docking, and molecular dynamics simulations.

Authors: Al-Wahaibi, Lamya H. Chakraborty, Annesha Warda, Eman T. et al.

Source: Structural Chemistry. Dec2025, Vol. 36 Issue 6, p2319-2336. 18p.

Crystal structure, Hirshfeld surfaces and DFT computation of NLO active (2E)-2-(ethoxycarbonyl)-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino] prop-2-enoic acid.

Authors: Venkatesan, Perumal Thamotharan, Subbiah Ilangovan, Andivelu et al.

Source: Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy. Jan2016, Vol. 153, p625-636. 12p.

Subjects: Crystal structure, Density functional theory, X-ray crystallography, Quantum chemistry, Geometric analysis

TBHP Mediated Substrate Controlled Oxidative Dearomatization of Indoles to C2/C3-Quaternary Indolinones.

Authors: Kothandapani, Jagatheeswaran Reddy, Singarajanahalli Mundarinti Krishna Thamotharan, Subbiah et al.

Source: European Journal of Organic Chemistry; 6/15/2018, Vol. 2018 Issue 22, p2762-2767, 6p, 3 Diagrams, 2 Charts

A concise and highly diastereoselective one-pot synthesis of vicinal tetrasubstituted furofuran analogues.

Authors: Sneka, Chinnaiyah Manikandan, Balasubramaniyam Thamotharan, Subbiah et al.

Source: New Journal of Chemistry. 7/14/2025, Vol. 49 Issue 26, p11297-11303. 7p.

Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses.

Authors: Venkatesan, Perumal Thamotharan, Subbiah Kumar, Rajendran Ganesh et al.

Source: CrystEngComm. 2015, Vol. 17 Issue 4, p904-915. 12p.

Subjects: Alkoxy compounds, Esters, Organic compounds, Crystals, Crystallography

Modification of the sugar specificity of a plant lectin: structural studies on a point mutant of Erythrina corallodendron lectin.

Authors: Thamotharan, Subbiah Karthikeyan, Tangavelou Kulkarni, Kiran A. et al.

Source: Acta Crystallographica: Section D (Wiley-Blackwell). Mar2011, Vol. 67 Issue 3, p218-227. 10p. 5 Diagrams, 2 Charts, 1 Graph.

Subjects: Erythrina, Sugar, Lectins, Binding sites, Carbohydrates, Legumes

New structural insights and molecular-modelling studies of 4-methyl-5-β-hydroxyethylthiazole kinase from Pyrococcus horikoshii OT3 ( PhThiK).

Authors: Jeyakanthan, Jeyaraman Thamotharan, Subbiah Velmurugan, Devadasan et al.

Source: Acta Crystallographica: Section F (Wiley-Blackwell). Oct2009, Vol. 65 Issue 10, p978-986. 9p.

Subjects: Phosphorylation, Pyrococcus horikoshii, Hydroxyl group, Nucleotides, Bacillus subtilis

Quantitative analysis of intermolecular interactions in 2,2’-((4-bromophenyl)methylene)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one): insights from crystal structure, PIXEL, Hirshfeld surfaces and QTAIM analysis.

Authors: Thamotharan, Subbiah Kothandapani, Jagatheeswaran Selva Ganesan, Subramaniapillai et al.

Source: Journal of Chemical Sciences. Feb2018, Vol. 130 Issue 2, pN.PAG-N.PAG. 1p.