[HTML][HTML] Improving the physicochemical and biopharmaceutical properties of active pharmaceutical ingredients derived from traditional Chinese medicine through …
Active pharmaceutical ingredients (APIs) extracted and isolated from traditional Chinese
medicines (TCMs) are of interest for drug development due to their wide range of biological …
medicines (TCMs) are of interest for drug development due to their wide range of biological …
[HTML][HTML] Cocrystals of tuberculosis antibiotics: Challenges and missed opportunities
E Khanfar, S Nagy, A Széchenyi - International journal of pharmaceutics, 2022 - Elsevier
Cocrystals have been extensively used to improve the physicochemical properties and
bioavailability of active pharmaceutical ingredients. Cocrystals of anti-tuberculosis …
bioavailability of active pharmaceutical ingredients. Cocrystals of anti-tuberculosis …
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 …
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 …
benzenesulfonamide (PY4DA) compound was synthesis with condensation of pyridine-4 …
Synthesis, spectral characterization, electronic structure and biological activity screening of the schiff base 4-((4-hydroxy-3-methoxy-5-Nitrobenzylidene) Amino)-N …
N Elangovan, R Thomas, S Sowrirajan… - Polycyclic Aromatic …, 2022 - Taylor & Francis
A new Schiff base was prepared by the condensation between the sulfa drug sulfadiazine
and 5-nitrovanilline to form 4-((4-hydroxy-3-methoxy-5-nitrobenzylidene) amino)-N …
and 5-nitrovanilline to form 4-((4-hydroxy-3-methoxy-5-nitrobenzylidene) amino)-N …
Computational investigation on structural and reactive sites (HOMO-LUMO, MEP, NBO, NPA, ELF, LOL, RDG) identification, pharmacokinetic (ADME) properties and …
N Elangovan, R Sangeetha, S Sowrirajan… - Analytical Chemistry …, 2022 - Taylor & Francis
Abstract (E)-4-((4-chlorobenzylidene) amino) benzene sulfonamide molecule has been
optimized and characterized by DFT/B3LYP/6-311++ G (d, p) quantum computational …
optimized and characterized by DFT/B3LYP/6-311++ G (d, p) quantum computational …
Structural and physico-chemical evaluation of melatonin and its solution-state excited properties, with emphasis on its binding with novel coronavirus proteins
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 …
We examined the structure and physico-chemical properties of melatonin using electronic …
Conformational study, FT-IR, FT-Raman, solvent effect on UV–Vis, charge transfer and protein–ligand interactions of Methyl-2-pyrazinecarboxylate
K Arulaabaranam, S Muthu, G Mani, A Irfan - Journal of Molecular Liquids, 2021 - Elsevier
The conformational firmness, spectroscopic depiction, molecular (inter-and intra-); and
protein–ligand interactions on the organic material Methyl-2-pyrazinecarboxylate (M2PC) …
protein–ligand interactions on the organic material Methyl-2-pyrazinecarboxylate (M2PC) …
Detailed spectra, electronic properties, qualitative non-covalent interaction analysis, solvatochromism, docking and molecular dynamics simulations in different solvent …
T Pooventhiran, U Bhattacharyya, DJ Rao… - Structural Chemistry, 2020 - Springer
Cenobamate, which is a voltage-gated sodium channel (VGSC) blocker, finds its full
application in several anti-epileptic medications. This manuscript tries to look at the structure …
application in several anti-epileptic medications. This manuscript tries to look at the structure …
[HTML][HTML] Modelling the structural and reactivity landscapes of tucatinib with special reference to its wavefunction-dependent properties and screening for potential …
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 …
Tucatinib is recently developed and approved as a potential medicine to fight this disease. In …