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) …
Synthesis of ZnO nanoparticles using Sapindus rarak DC fruit pericarp extract for rhodamine B photodegradation
Abstract Zinc oxide Nanoparticles (ZnO NPs) were successfully synthesized via a green
synthesis route by using Sapindus rarak DC fruit aqueous extract (SFE). In addition, a …
synthesis route by using Sapindus rarak DC fruit aqueous extract (SFE). In addition, a …
Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR, UV-VIS), chemical reactivity and biological examinations of Ketorolac
B Amul, S Muthu, M Raja, S Sevvanthi - Journal of Molecular Structure, 2020 - Elsevier
Abstract Ketorolac [(±)-5-Benzoyl-2, 3-dihydro-1H-pyrrolizine-1-carboxylic acid] have been
investigated by experimental FTIR, FT-Raman, NMR and UV–Visible spectroscopy. The …
investigated by experimental FTIR, FT-Raman, NMR and UV–Visible spectroscopy. The …
Bioactive Azepine-Indole Alkaloids from Psychotria nemorosa
LC Klein-Júnior, S Cretton… - Journal of natural …, 2020 - ACS Publications
Phytochemical investigation of the alkaloid extract of the aerial parts of Psychotria nemorosa
led to the isolation and characterization of 10 azepine-indole alkaloids, ie, cimitrypazepine …
led to the isolation and characterization of 10 azepine-indole alkaloids, ie, cimitrypazepine …
Theoretical Investigation of the Structural, Spectroscopic, Electronic, and Pharmacological Properties of 4‐Nerolidylcathecol, an Important Bioactive Molecule
4‐Nerolidylcatechol (4NRC), a secondary metabolite described as a potent antioxidant that
presents anti‐inflammatory, antimalarial, analgesic, and cytotoxic properties, has been …
presents anti‐inflammatory, antimalarial, analgesic, and cytotoxic properties, has been …
Vibrational, structural and electronic properties investigation by DFT calculations and molecular docking studies with DNA topoisomerase II of strychnobrasiline type …
A combined experimental and theoretical DFT study of the structural, vibrational and
electronic properties of strychnobrasiline and 12-hydroxy-10, 11-dimethoxystrychnobrasiline …
electronic properties of strychnobrasiline and 12-hydroxy-10, 11-dimethoxystrychnobrasiline …
Structural, electronic, vibrational and pharmacological investigations of highly functionalized Diarylmethane molecules using DFT calculations, molecular dynamics …
Present work describes the UV–Visible and FT-IR spectral behavior of highly functionalized
diarylmethanes via theoretical investigations. Analyses of both theoretical and experimental …
diarylmethanes via theoretical investigations. Analyses of both theoretical and experimental …
Quantum chemical properties investigation and molecular docking analysis with DNA topoisomerase II of β-carboline indole alkaloids from Simaba guianensis: a …
RA Costa, KMT Oliveira… - Structural Chemistry, 2018 - Springer
A theoretical and experimental DFT study of the vibrational, structural, and quantum
properties of 9-methoxy-canthin-6-one (I) and 7-methoxy-(9H-β-carbolin-1-il)-(Z)-prop-2 …
properties of 9-methoxy-canthin-6-one (I) and 7-methoxy-(9H-β-carbolin-1-il)-(Z)-prop-2 …
Molecular networking‐based dereplication of strictosidine‐derived monoterpene indole alkaloids from the curare ingredient Strychnos peckii
CLG Santos, CFF Angolini, KOG Neves… - Rapid …, 2020 - Wiley Online Library
Rationale Monoterpene indole alkaloids (MIAs) are a large group of biologically active
compounds produced by hundreds of plant species in numerous plant families, such as …
compounds produced by hundreds of plant species in numerous plant families, such as …
Quantum chemical studies, vibrational analysis, molecular dynamics and docking calculations of some ent-kaurane diterpenes from Annona vepretorum: a …
RA Costa, JN da Silva, KMT Oliveira, LM Dutra… - Structural Chemistry, 2020 - Springer
Diterpenes are a class of secondary metabolites that attract much attention due to the
numerous biological activities presented, such as antimicrobial, antiviral, hypoglycemic …
numerous biological activities presented, such as antimicrobial, antiviral, hypoglycemic …