Transplanting network pharmacology technology into food science research: A comprehensive review on uncovering food‐sourced functional factors and their health …

Q Shen, L Ge, W Lu, H Wu, L Zhang… - … Reviews in Food …, 2024 - Wiley Online Library
Network pharmacology is an emerging interdisciplinary research method. The application of
network pharmacology to reveal the nutritional effects and mechanisms of active ingredients …

Review of the anticancer properties of 6‐shogaol: Mechanisms of action in cancer cells and future research opportunities

G Figueroa‐González… - Food Science & …, 2024 - Wiley Online Library
Cancer is a major global health challenge that affects every nation and accounts for a large
portion of the worldwide disease burden. Furthermore, cancer cases will rise significantly in …

Network pharmacology, molecular docking and molecular dynamics simulation of chalcone scaffold-based compounds targeting breast cancer receptors

NZ Ismail, M Khairuddean, S Abubakar… - Journal of Biomolecular …, 2023 - Taylor & Francis
Compounds with a chalcone scaffold-based structure have demonstrated promising
anticancer biological activity. However, the molecular interactions between chalcone …

Integrated network pharmacology, molecular docking, molecular simulation, and in vitro validation revealed the bioactive components in soy-fermented food products …

AEO Elkhalifa, H Banu, MI Khan, SA Ashraf - Nutrients, 2023 - mdpi.com
Globally, lung cancer remains one of the leading causes of cancer-related mortality,
warranting the exploration of novel and effective therapeutic approaches. Soy-fermented …

Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation to Elucidate the Molecular Targets and Potential Mechanism of Phoenix dactylifera …

M Adnan, AJ Siddiqui, SA Ashraf, F Bardakci… - Pathogens, 2023 - mdpi.com
Candidiasis, caused by opportunistic fungal pathogens of the Candida genus, poses a
significant threat to immunocompromised individuals. Natural compounds derived from …

Natural sapogenins as potential inhibitors of aquaporins for targeted cancer therapy: computational insights into binding and inhibition mechanism

MO Alotaibi, NM Alotaibi, MA Alwaili… - Journal of …, 2023 - Taylor & Francis
Aquaporins (AQPs) are membrane proteins that facilitate the transport of water and other
small molecules across biological membranes. AQPs are involved in various physiological …

Identification of novel AKT1 inhibitors from Sapria himalayana bioactive compounds using structure-based virtual screening and molecular dynamics simulations

L Ralte, H Sailo, R Kumar, L Khiangte… - … Medicine and Therapies, 2024 - Springer
Through the experimental and computational analyses, the present study sought to
elucidate the chemical composition and anticancer potential of Sapria himalayana plant …

Integrating computational methods and in vitro experimental validation reveals the pharmacological mechanism of Selaginella bryopteris (L.) Baker targeting major …

AM Awadelkareem, M Patel, H Banu, M Adnan - Heliyon, 2024 - cell.com
Breast cancer remains a significant global health challenge, necessitating the exploration of
novel therapeutic options. The present study employs an integrated approach …

Molecular modelling, docking and network analysis of phytochemicals from Haritaki churna: role of protein cross-talks for their action

MRUZ Khan, V Trivedi - Journal of Biomolecular Structure and …, 2024 - Taylor & Francis
Phytochemicals are bioactive agents present in medicinal plants with therapeutic values.
Phytochemicals isolated from plants target multiple cellular processes. In the current work …

Design, synthesis and biological evaluation of some imidazo[1,2-a]pyridine derivatives as anti-tubercular agents: an in silico – in vitro approach

H Patel, A Nagani, M Patel, M Patel… - Journal of Biomolecular …, 2024 - Taylor & Francis
In this study, we designed, synthesized and evaluated some novel imidazo [1, 2-a] pyridine
derivatives as potential anti-TB agents. Preliminary in vitro screening for anti-TB activity of …