A comprehensive review on the biological interest of quinoline and its derivatives
BS Matada, R Pattanashettar, NG Yernale - Bioorganic & Medicinal …, 2021 - Elsevier
Amongst heterocyclic compounds, quinoline is an advantaged scaffold that appears as a
significant assembly motif for the development of new drug entities. Quinoline and its …
significant assembly motif for the development of new drug entities. Quinoline and its …
Emerging quinoline‐and quinolone‐based antibiotics in the light of epidemics
Pandemics are large‐scale outbreaks of infectious disease that can greatly increase
morbidity and mortality all the globe. Since past 1990 till twentieth century, these infectious …
morbidity and mortality all the globe. Since past 1990 till twentieth century, these infectious …
Spectroscopic elucidation (FT-IR, FT-Raman and UV-visible) with NBO, NLO, ELF, LOL, drug likeness and molecular docking analysis on 1-(2-ethylsulfonylethyl)-2 …
P Manjusha, JC Prasana, S Muthu… - Computational Biology and …, 2020 - Elsevier
(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazole (1EMI) C 8 H 13 N 3 O 4 S also known as
Tinidazole, selected for its antiprotozoal property is extensively used for spectroscopic …
Tinidazole, selected for its antiprotozoal property is extensively used for spectroscopic …
Investigation on structural, spectroscopic, DFT, biological activity and molecular docking simulation of essential oil Gamma-Terpinene
Density functional theory (DFT) quantum chemical computations were used to explore the
structural and spectroscopic characteristics of the Gamma terpinene molecule in this study …
structural and spectroscopic characteristics of the Gamma terpinene molecule in this study …
Degradable benzyl cyclic acetal epoxy monomers with low viscosity: Synthesis, structure-property relationships, application in recyclable carbon fiber composite
Degradable thermosets can address the recycle issue of conventional thermosets and
downstream materials like carbon fiber composites. Significant advances have been …
downstream materials like carbon fiber composites. Significant advances have been …
Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach
CS Abraham, S Muthu, JC Prasana… - … Acta Part A: Molecular …, 2019 - Elsevier
[N-(carboxymethyl) anilino] acetic acid (PIDAA) molecule has been spectroscopically
characterized and computationally investigated for its fundamental reactive properties by a …
characterized and computationally investigated for its fundamental reactive properties by a …
Stability and reactivity study of bio-molecules brucine and colchicine towards electrophile and nucleophile attacks: Insight from DFT and MD simulations
A set of molecular descriptors have been calculated and used in order to identify the most
reactive parts of bioactive molecules, brucine (BRU) and colchicine (COL). Comparison of …
reactive parts of bioactive molecules, brucine (BRU) and colchicine (COL). Comparison of …
Experimental and theoretical investigation for 6-Morpholinosulfonylquinoxalin-2 (1H)-one and its haydrazone derivate: Synthesis, characterization, tautomerization …
This work aimed to synthesize a safe antimicrobial agent based on dihydroquinoxalinedione
derivatives. The structure of the synthesized compounds was established based on different …
derivatives. The structure of the synthesized compounds was established based on different …
Experimental and computational evaluation of syringic acid–structural, spectroscopic, biological activity and docking simulation
The single crystal of syringic acid was crystallized by slow evaporation technique and
characterized using XRD, FTIR, FT-Raman, and UV-Vis spectroscopy. XRD confirms the …
characterized using XRD, FTIR, FT-Raman, and UV-Vis spectroscopy. XRD confirms the …
Synthesis, spectroscopic characterization, reactive properties by DFT calculations, molecular dynamics simulations and biological evaluation of Schiff bases tethered …
The synthesis, spectroscopic characterization, reactivity study and evaluation of antioxidant
and α-glucosidase inhibitory activities of two Schiff bases containing 1, 2, 4-triazole and …
and α-glucosidase inhibitory activities of two Schiff bases containing 1, 2, 4-triazole and …