Physicochemical, antioxidant properties of carotenoids and its optoelectronic and interaction studies with chlorophyll pigments
R Srivastava - Scientific Reports, 2021 - nature.com
The physicochemical and antioxidant properties of seven carotenoids: antheraxanthin, β-
carotene, neoxanthin, peridinin, violaxanthin, xanthrophyll and zeaxanthin were studied by …
carotene, neoxanthin, peridinin, violaxanthin, xanthrophyll and zeaxanthin were studied by …
Computational Pharmacokinetics Report, ADMET Study and Conceptual DFT‐Based Estimation of the Chemical Reactivity Properties of Marine Cyclopeptides
Abstract Homophymines A–E and A1–E1 are bioactive natural cyclodepsipeptides with a
complex molecular architecture. These molecules could have a potential use as …
complex molecular architecture. These molecules could have a potential use as …
Synthesis, computational pharmacokinetics report, conceptual DFT-based calculations and anti-acetylcholinesterase activity of hydroxyapatite nanoparticles derived …
Over the years, Alzheimer's disease (AD) treatments have been a major focus, culminating
in the identification of promising therapeutic targets. A herbal therapy approach has been …
in the identification of promising therapeutic targets. A herbal therapy approach has been …
Anticholinesterase activity of Areca Catechu: In Vitro and in silico green synthesis approach in search for therapeutic agents against Alzheimer's disease
S Pradeep, SC Prabhuswaminath, P Reddy… - Frontiers in …, 2022 - frontiersin.org
For many years, the primary focus has been on finding effective treatments for Alzheimer's
disease (AD), which has led to the identification of promising therapeutic targets. The …
disease (AD), which has led to the identification of promising therapeutic targets. The …
A fast and simple evaluation of the chemical reactivity properties of the pristinamycin family of antimicrobial peptides
The MN12SX density functional, in connection with the Def2TZVP basis set, was assessed
together with the SMD solvation model (Solvation Model based on the Density) in the …
together with the SMD solvation model (Solvation Model based on the Density) in the …
Chemical Reactivity Properties, pKa Values, AGEs Inhibitor Abilities and Bioactivity Scores of the Mirabamides A–H Peptides of Marine Origin Studied by Means of …
The MN12SX density functional, in connection with the Def2TZVP basis set, was assessed,
together with the SMD solvation model (Solvation Model based on the Density), for …
together with the SMD solvation model (Solvation Model based on the Density), for …
Investigation of antifungal properties of synthetic dimethyl-4-bromo-1-(substituted benzoyl) pyrrolo [1, 2-a] quinoline-2, 3-dicarboxylates analogues: Molecular docking …
V Uppar, S Chandrashekharappa, C Shivamallu, SP… - Molecules, 2021 - mdpi.com
Candida albicans, an opportunistic fungal pathogen, frequently colonizes immune-
compromised patients and causes mild to severe systemic reactions. Only few antifungal …
compromised patients and causes mild to severe systemic reactions. Only few antifungal …
In silico pharmacokinetics, ADMET study and conceptual DFT analysis of two plant cyclopeptides isolated from rosaceae as a computational Peptidology approach
This research presents the outcomes of a computational determination of the chemical
reactivity and bioactivity properties of two plant cyclopeptides isolated from Rosaceae …
reactivity and bioactivity properties of two plant cyclopeptides isolated from Rosaceae …
Synthesis and investigations of reactive properties, photophysical properties and biological activities of a pyrazole-triazole hybrid molecule
In this work, we report the synthesis, spectroscopic characterization, reactivity study,
photophysical properties and evaluation of α-glucosidase inhibitory activity pyrazole-triazole …
photophysical properties and evaluation of α-glucosidase inhibitory activity pyrazole-triazole …
Chemical-reactivity properties, drug likeness, and bioactivity scores of Seragamides A–F anticancer marine peptides: conceptual density functional theory viewpoint
A methodology based on concepts that arose from Density Functional Theory (CDFT) was
chosen for the calculation of global and local reactivity descriptors of the Seragamide family …
chosen for the calculation of global and local reactivity descriptors of the Seragamide family …