Synthesis of a versatile Schiff base 4-((2-hydroxy-3, 5-diiodobenzylidene) amino) benzenesulfonamide from 3, 5-diiodosalicylaldehyde and sulfanilamide, structure …
N Elangovan, B Gangadharappa, R Thomas… - Journal of Molecular …, 2022 - Elsevier
The manuscript report the synthesis of a new Schiff base from sulfanilamide and 3, 5-
diiodosalicylaldehyde which showed some unique properties. The synthesized compound …
diiodosalicylaldehyde which showed some unique properties. The synthesized compound …
Thiazole-pyrazoline hybrids as potential antimicrobial agent: Synthesis, biological evaluation, molecular docking, DFT studies and POM analysis
In this study, an efficient synthesis of new thiazole-pyrazoline hybrids was investigated and
hybrids were screened for their antimicrobial activities against four species of pathogenic …
hybrids were screened for their antimicrobial activities against four species of pathogenic …
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 …
Development of new antituberculosis drugs among of 1, 3-and 1, 4-diazines. Highlights and perspectives
EV Verbitskiy, GL Rusinov, VN Charushin… - Russian Chemical …, 2019 - Springer
The properties of pyrimidine and pyrazine derivatives responsible for the existence of
antituberculosis activity are considered. Examples of synthesis and biological activity of the …
antituberculosis activity are considered. Examples of synthesis and biological activity of the …
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 …
Spectral analysis and DFT investigation of some benzopyran analogues and their self-assemblies with graphene
Spectroscopic analysis and different quantum mechanical studies of four phramaceutically
active flavanoid compounds, 5, 7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one …
active flavanoid compounds, 5, 7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one …
Structural, physico-chemical landscapes, ground state and excited state properties in different solvent atmosphere of Avapritinib and its ultrasensitive detection using …
Avapritinib is a complex molecule with many heterocyclic rings developed for the treatment
of advanced PDGFRA D842V-mutant gastrointestinal stromal tumours. The manuscripts …
of advanced PDGFRA D842V-mutant gastrointestinal stromal tumours. The manuscripts …
Comprehensive quantum mechanical studies on three bioactive anastrozole based triazole analogues and their SERS active graphene complex
JS Al-Otaibi, AH Almuqrin, YS Mary, YS Mary - Journal of Molecular …, 2020 - Elsevier
Abstract Three triazole derivatives, 2-[3-(2-cyanopropan-2-yl)-5-(1, 2, 4-triazol-1-ylmethyl)
phenyl]-2-methylpropanenitrile (anastrozole)(TR1), 3-amino-1-benzyl-5-phenyl-1H-1, 2, 4 …
phenyl]-2-methylpropanenitrile (anastrozole)(TR1), 3-amino-1-benzyl-5-phenyl-1H-1, 2, 4 …
Theoretical investigation on the reactive and interaction properties of sorafenib–DFT, AIM, spectroscopic and Hirshfeld analysis, docking and dynamics simulation
Hepatocellular carcinoma is one of the severe types of malignancy characterized by rapid
tumor growth and is mostly found in the last stage of very advanced tumor formation. In this …
tumor growth and is mostly found in the last stage of very advanced tumor formation. In this …
Hybrid and bioactive cocrystals of pyrazinamide with hydroxybenzoic acids: detailed study of structure, spectroscopic characteristics, other potential applications and …
JS Al-Otaibi, YS Mary, S Armaković… - Journal of Molecular …, 2020 - Elsevier
Three cocrystals of pyrazinamide (PYZ) with 2, 4-dihydroxy benzoic acid (2, 4HBA-PYZ), 2, 6-
dihydroxybenzoic acid (2, 6HBA-PYZ) and 3, 5-dihydroxybenzoic acid (3, 5HBA-PYZ) are …
dihydroxybenzoic acid (2, 6HBA-PYZ) and 3, 5-dihydroxybenzoic acid (3, 5HBA-PYZ) are …