Synthesis, spectral and quantum mechanical studies and molecular docking studies of Schiff base (E) 2-hydroxy-5-(((4-(N-pyrimidin-2-yl) sulfamoyl) phenyl) imino) …

N Elangovan, R Thomas, S Sowrirajan… - Journal of the Indian …, 2021 - Elsevier
A new Schiff base (E) 2-hydroxy-5-(((4-(N-pyrimidin-2-yl) sulfamoyl) phenyl) imino) methyl
benzoic acid (5FSADA) compound was synthesized by condensation of 5-formyl salicylic …

Synthesis, structural features, excited state properties, flouresence spectra, and quantum chemical modeling of (E)-2-hydroxy-5-(((4-sulfamoylphenyl) imino) methyl) …

OAA Ali, N Elangovan, SF Mahmoud… - Journal of Molecular …, 2022 - Elsevier
The structure, spectroscopic features, and pharmaceutical effect of (E)-2-hydroxy-5-(((4-
sulfamoylphenyl) imino) methyl) benzoic acid (E7) has been studied by density functional …

Synthesis, structural investigation, computational study, antimicrobial activity and molecular docking studies of novel synthesized (E)-4-((pyridine-4-ylmethylene) …

N Elangovan, S Sowrirajan, KP Manoj… - Journal of Molecular …, 2021 - Elsevier
Abstract The new (E)-4-((pyridine-4-ylmethylene) amino)-N-(pyrimidin-2-yl)
benzenesulfonamide (PY4DA) compound was synthesis with condensation of pyridine-4 …

Structural and physico-chemical evaluation of melatonin and its solution-state excited properties, with emphasis on its binding with novel coronavirus proteins

N Al-Zaqri, T Pooventhiran, A Alsalme, I Warad… - Journal of Molecular …, 2020 - Elsevier
Melatonin is a natural hormone from the pineal gland that regulates the sleep-wake cycle.
We examined the structure and physico-chemical properties of melatonin using electronic …

Synthesis of three quasi liquid Schiff bases between hexanal and adenine, cytosine, and l-leucine, structural interpretation, quantum mechanical studies and …

P Surendar, T Pooventhiran, N Al-Zaqri… - Journal of Molecular …, 2021 - Elsevier
Hexanal, a naturally phytochemical known to inhibit phospholipase-D and facilitates
extension of shelf-life of fruits, vegetables and flower during storage. We attemped to …

Modelling the structural and reactivity landscapes of tucatinib with special reference to its wavefunction-dependent properties and screening for potential antiviral …

A Alsalme, T Pooventhiran, N Al-Zaqri, DJ Rao… - Journal of Molecular …, 2020 - Springer
HER-2 type breast cancer is one of the most aggressive malignancies found in women.
Tucatinib is recently developed and approved as a potential medicine to fight this disease. In …

Structural, physico-chemical landscapes, ground state and excited state properties in different solvent atmosphere of Avapritinib and its ultrasensitive detection using …

A Alsalme, T Pooventhiran, N Al-Zaqri, DJ Rao… - Journal of Molecular …, 2021 - Elsevier
Avapritinib is a complex molecule with many heterocyclic rings developed for the treatment
of advanced PDGFRA D842V-mutant gastrointestinal stromal tumours. The manuscripts …

Structure, conformational dynamics, quantum mechanical studies and potential biological activity analysis of multiple sclerosis medicine ozanimod

N Al-Zaqri, T Pooventhiran, DJ Rao, A Alsalme… - Journal of Molecular …, 2021 - Elsevier
Ozanimod is a newly formulated drug used to manage relapsing multiple sclerosis. Here, we
use computational chemistry tools to study the structure and various physio-chemical …

Solution stage fluorescence and anticancer properties of azomethine compounds from sulpha drugs: synthesis, experimental and theoretical insights

ES Aazam, R Thomas - Journal of Molecular Structure, 2024 - Elsevier
In this comprehensive scientific study, we present the synthesis, characterization, and
detailed analysis of two Schiff base compounds,(E)-4-((4-bromobenzylidene) amino)-N …

Synthesis, characterization, computational, excited state properties, wave function and molecular docking studies of (E)-1-(perfluorophenyl)-N-(p-tolyl) methanimine

J Geethapriya, A Shanthidevi, M Arivazhagan… - Journal of the Indian …, 2022 - Elsevier
Abstract The compound (E)-1-(perfluorophenyl)-N-(p-tolyl) methanimine (PFPT) was
synthesized and characterized by the Infrared, UV–Visible, and NMR analysis. Using density …