Molecular dynamics simulation of the interaction of food proteins with small molecules

X Hu, Z Zeng, J Zhang, D Wu, H Li, F Geng - Food Chemistry, 2023 - Elsevier
Molecular dynamics (MD) simulation is used increasingly to explore mechanisms of
interactions and conformational relationships between food proteins and other food …

MAFLD: A multisystem disease

RM Pipitone, C Ciccioli, G Infantino… - Therapeutic …, 2023 - journals.sagepub.com
Nonalcoholic fatty liver disease (NAFLD), affecting about 25% of general population and
more than 50% of dysmetabolic patients, is an emerging cause of chronic liver disease and …

Research advances of molecular docking and molecular dynamic simulation in recognizing interaction between muscle proteins and exogenous additives

G Bai, Y Pan, Y Zhang, Y Li, J Wang, Y Wang, W Teng… - Food Chemistry, 2023 - Elsevier
During storage and processing, muscle proteins, eg myosin and myoglobin, will inevitably
undergo degeneration, which is thus accompanied by quality deterioration of muscle foods …

[HTML][HTML] Synthesis and in Silico Investigation of Organoselenium-Clubbed Schiff Bases as Potential Mpro Inhibitors for the SARS-CoV-2 Replication

S Shaaban, A Abdou, AG Alhamzani, MM Abou-Krisha… - Life, 2023 - mdpi.com
Simple Summary The coronavirus was declared a worldwide pandemic for the first time in
December 2019. Although vaccination reduces the risk of severe illness and death, no …

[HTML][HTML] Moringa oleifera Lam.: a comprehensive review on active components, health benefits and application

X Su, G Lu, L Ye, R Shi, M Zhu, X Yu, Z Li, X Jia… - RSC …, 2023 - pubs.rsc.org
Moringa oleifera Lam. is an edible therapeutic plant that is native to India and widely
cultivated in tropical countries. In this paper, the current application of M. oleifera was …

[HTML][HTML] Amygdalin: a review on its characteristics, antioxidant potential, gastrointestinal microbiota intervention, anticancer therapeutic and mechanisms, toxicity, and …

H Barakat, T Aljutaily, MS Almujaydil, RM Algheshairy… - Biomolecules, 2022 - mdpi.com
Bioactive amygdalin, found in high concentrations in bitter almonds, has been recognized as
a symbol of the cyanogenic glycoside chemical organic substance, which was initially …

[HTML][HTML] Hepatocellular Carcinoma cells: activity of Amygdalin and Sorafenib in Targeting AMPK/mTOR and BCL-2 for anti-angiogenesis and apoptosis cell death

T El-Sewedy, AF Salama, AE Mohamed… - … medicine and therapies, 2023 - Springer
Abstract Background Sorafenib (Sor) is the only approved multikinase inhibitor indicated for
the treatment of HCC. Previous studies have shown that amygdalin (Amy) possesses …

[HTML][HTML] Diterpenes/diterpenoids and their derivatives as potential bioactive leads against dengue virus: a computational and network pharmacology study

RA Khan, R Hossain, A Siyadatpanah, K Al-Khafaji… - Molecules, 2021 - mdpi.com
Dengue fever is a dangerous infectious endemic disease that affects over 100 nations
worldwide, from Africa to the Western Pacific, and is caused by the dengue virus, which is …

[HTML][HTML] Recognizing novel drugs against Keap1 in Alzheimer's disease using machine learning grounded computational studies

N Mukerjee, K Al-Khafaji, S Maitra… - Frontiers in Molecular …, 2022 - frontiersin.org
Alzheimer's disease (AD) is the most common neurodegenerative disorder in the world,
affecting an estimated 50 million individuals. The nerve cells become impaired and die due …

[HTML][HTML] Sclareol exerts synergistic antidepressant effects with quercetin and caffeine, possibly suppressing GABAergic transmission in chicks

H Kamli, A Shaikh, MH Bappi, A Raposo… - Biomedicine & …, 2023 - Elsevier
This study evaluated the effects of sclareol (SCL) with or without caffeine (CAF) and
quercetin (QUR) using in-vivo and in-silico studies. For this, 5-day-old chicks weighing …