Investigation of the interaction behavior between quercetin and pepsin by spectroscopy and MD simulation methods

F Hashemi-Shahraki, B Shareghi… - International Journal of …, 2023 - Elsevier
The ability of a therapeutic compound to bind to proteins is critical for characterizing its
therapeutic impacts. We have selected quercetin (Qu), a most common flavonoid found in …

Natural pigments: innovative extraction technologies and their potential application in health and food industries

A Masyita, G Hardinasinta, AD Astuti… - Frontiers in …, 2025 - frontiersin.org
Natural pigments, or natural colorants, are frequently utilized in the food industry due to their
diverse functional and nutritional attributes. Beyond their color properties, these pigments …

From roots to codes: Applications of computer-aided drug discovery from medicinal plants

A Javid, A Fatima, M Hamad, M Ahmed - South African Journal of Botany, 2024 - Elsevier
Medicinal plants are enriched sources of drugs due to their chemically and functionally
diverse secondary metabolites. Conventional methods of screening these bioactive …

Structure-based pharmacophore modeling, virtual screening, and molecular dynamics simulation studies for identification of Plasmodium falciparum 5 …

GO Oduselu, R Afolabi, I Ademuwagun… - Frontiers in …, 2023 - frontiersin.org
Plasmodium falciparum (Pf) 5-aminolevulinic acid synthase (5-ALAS) is an essential
enzyme with high selectivity during liver stage development, signifying its potential as a …

Prebiotic Systems Containing Anthocyanin-Rich Pomegranate Flower Extracts with Antioxidant and Antidiabetic Effects

A Gościniak, N Rosiak, D Szymanowska… - Pharmaceutics, 2024 - mdpi.com
Pomegranate flower extract, rich in anthocyanins, demonstrates beneficial health-promoting
properties such as an anti-diabetic and antioxidant effect, among others. However, the …

Anti-hyaluronidase and cytotoxic activities of fucoxanthin cis/trans isomers extracted and characterized from 13 brown seaweeds

A Kurinjery, A Kulanthaiyesu - Process Biochemistry, 2022 - Elsevier
Anti-oxidant, anti-hyaluronidase and anti-cancer activities of fucoxanthin isomers extracted
from 13 brown seaweeds were studied by profiling through high-performance thin layer …

Exploring the structure and dynamics of a fluorescent schiff base (1E, 1′ E)-1, 1′-(1, 4-phenylene) bis (N-(4-chlorophenyl) methamine: Synthesis, spectroscopic …

KJ Rajimon, AY Alzahrani, DSR Nair… - Journal of Molecular …, 2024 - Elsevier
Schiff bases have emerged as attractive biological agents with a wide range of uses due to
the extraordinary physical, chemical, and pharmacological characteristics that they possess …

In Silico Prediction of Potential Inhibitors for Targeting RNA CAG Repeats via Molecular Docking and Dynamics Simulation: A Drug Discovery Approach

S Singh, S Singh, D Joshi, C Mohanty… - Journal of Cellular …, 2024 - Wiley Online Library
Spinocerebellar ataxia (SCA) is a rare neurological illness inherited dominantly that causes
severe impairment and premature mortality. While each rare disease may affect individuals …

Employing Hexahydroquinolines as PfCDPK4 Inhibitors to Combat Malaria Transmission: An Advanced Computational Approach

GO Oduselu, OF Elebiju, TA Ogunnupebi… - … and Applications in …, 2024 - Taylor & Francis
Background Existing antimalarial drugs primarily target blood-stage parasites, but there is a
need for transmission-blocking drugs to combat malaria effectively. Plasmodium falciparum …

Caffeic acid phenethyl ester mediates apoptosis in serum‐starved HT29 colon cancer cells through modulation of heat shock proteins and MAPK pathways

S Yahya, MK Sulaiman… - Cell Biochemistry and …, 2024 - Wiley Online Library
Colorectal cancer (CRC) is among the most prevalent gastrointestinal cancers of epithelial
origin worldwide, with over 2 million cases detected every year. Emerging evidence …