Investigation on synthesized sulfonamide Schiff base with DFT approaches and in silico pharmacokinetic studies: Topological, NBO, and NLO analyses
The sulfonamide Schiff base (C 16 H 14 N 4 O 3 S) was successfully synthesized and
experimentally ascertained. The main purpose of this research is to investigate the geometry …
experimentally ascertained. The main purpose of this research is to investigate the geometry …
2D-QSAR, 3D-QSAR, molecular docking and ADMET prediction studies of some novel 2-((1H-indol-3-yl) thio)-N-phenyl-acetamide derivatives as anti-influenza A …
Due to the emergence of drug-resistant strains of influenza A virus (IAV) in recent times, the
need to search and discover more potent anti-IAV inhibitors is of great interest, especially …
need to search and discover more potent anti-IAV inhibitors is of great interest, especially …
[PDF][PDF] RETRACTED: In-silico modelling studies of 5-benzyl-4-thiazolinone derivatives as influenza neuraminidase inhibitors via 2D-QSAR, 3D-QSAR, molecular …
Influenza virus disease is one of the most infectious diseases responsible for many human
deaths, and the high mutability of the virus causes drug resistance effects in recent times. As …
deaths, and the high mutability of the virus causes drug resistance effects in recent times. As …
[PDF][PDF] In silico evaluation of the dermal antiaging activity of Molineria latifolia (Dryand. ex WT Aiton) Herb. Ex Kurz compounds
H ex Kurz - Journal of Pharmacy & Pharmacognosy Research, 2023 - jppres.com
Context: Dermal aging is one of the events caused by a decrease in the structure of skin
tissues due to various factors. Molineria latifolia is one of the plants empirically used in …
tissues due to various factors. Molineria latifolia is one of the plants empirically used in …
Chemical characterization and biological activity of Molineria latifolia root extract as dermal antiaging: isolation of natural compounds, in silico and in vitro study
Premature skin-aging is a disorder in human skin tissue caused by the effects of
environmental factors. It is important to prevent and treat this disorder using natural …
environmental factors. It is important to prevent and treat this disorder using natural …
Identification of molecular targets of Trigonelline for treating breast cancer through network pharmacology and bioinformatics-based prediction
HP Manivannan, VP Veeraraghavan, AP Francis - Molecular Diversity, 2023 - Springer
Breast cancer, a highly prevalent and fatal cancer that affects the female population
worldwide, stands as a significant health challenge. Despite the abundance of …
worldwide, stands as a significant health challenge. Despite the abundance of …
Molecular Docking Simulation of Reported Phytochemical Compounds from Curculigo latifolia Extract on Target Proteins Related to Skin Antiaging.
S Nur, M Hanafi, H Setiawan… - Tropical Journal of …, 2023 - search.ebscohost.com
Abstract Curculigo latifolia Dryand. Ex WT Alton is a plant reported to have antioxidant and
anti-aging activities. Studies have shown the interaction of compounds from this plant with …
anti-aging activities. Studies have shown the interaction of compounds from this plant with …
Computational modelling studies of some 1, 3-thiazine derivatives as anti-influenza inhibitors targeting H1N1 neuraminidase via 2D-QSAR, 3D-QSAR, molecular …
Background Influenza virus disease remains one of the most contagious diseases that aided
the deaths of many patients, especially in this COVID-19 pandemic era. Recent discoveries …
the deaths of many patients, especially in this COVID-19 pandemic era. Recent discoveries …
[PDF][PDF] Anti-inflammatory effect of the mixture of Ageratum conyzoides L. extract and eggshell membrane hydrolysates and in silico active compound predictions
SN Vikasari, EY Sukandar, T Suciati… - Journal of Pharmacy & …, 2024 - jppres.com
Context: Ageratum conyzoides L. and eggshell membrane have the potential to be used as
medicine. The independent use of A. conyzoides extract or eggshell membrane …
medicine. The independent use of A. conyzoides extract or eggshell membrane …
[PDF][PDF] Structure elucidation of active compounds from Coffea canephora Pierre ex A. Froehner cascara and their potential as anticancer against breast cancer cells
Context: One approach to cancer therapy medication is exploring medicinal plants that
contain one or more compounds specifically targeting cancer cells with fewer side effects …
contain one or more compounds specifically targeting cancer cells with fewer side effects …