Effects of citrus fruit juices and their bioactive components on inflammation and immunity: A narrative review

EA Miles, PC Calder - Frontiers in immunology, 2021 - frontiersin.org
The immune system provides defence to the host against pathogenic organisms. A weak
immune system increases susceptibility to infections and allows infections to become more …

Molecular docking in organic, inorganic, and hybrid systems: a tutorial review

M Mohanty, PS Mohanty - Monatshefte für Chemie-Chemical Monthly, 2023 - Springer
Molecular docking simulation is a very popular and well-established computational
approach and has been extensively used to understand molecular interactions between a …

SwissDock 2024: major enhancements for small-molecule docking with Attracting Cavities and AutoDock Vina

M Bugnon, UF Röhrig, M Goullieux… - Nucleic acids …, 2024 - academic.oup.com
Drug discovery aims to identify potential therapeutic compounds capable of modulating the
activity of specific biological targets. Molecular docking can efficiently support this process …

IMPPAT 2.0: an enhanced and expanded phytochemical atlas of Indian medicinal plants

RP Vivek-Ananth, K Mohanraj, AK Sahoo, A Samal - ACS omega, 2023 - ACS Publications
Compilation, curation, digitization, and exploration of the phytochemical space of Indian
medicinal plants can expedite ongoing efforts toward natural product and traditional …

Identification of potential plant bioactive as SARS-CoV-2 Spike protein and human ACE2 fusion inhibitors

R Singh, VK Bhardwaj, J Sharma, D Kumar… - Computers in Biology …, 2021 - Elsevier
The Spike receptor binding domain (S-RBD) from SARS-CoV-2, a crucial protein for the
entrance of the virus into target cells is known to cause infection by binding to a cell surface …

The Omicron (B. 1.1. 529) variant of SARS-CoV-2 binds to the hACE2 receptor more strongly and escapes the antibody response: Insights from structural and …

A Khan, H Waris, M Rafique, M Suleman… - International journal of …, 2022 - Elsevier
Abstract As SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) continues to
inflict chaos globally, a new variant officially known as B. 1.1. 529 was reported in South …

Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2, 6 …

A Ramalingam, M Kuppusamy, S Sambandam… - Heliyon, 2022 - cell.com
Abstract Isopropyl 1-benzoyl-4-(benzoyloxy)-2, 6-diphenyl-1, 2, 5, 6-tetrahydropyridine-3-
carboxylate (IDPC) was synthesized and characterized via spectroscopic (FT-IR and NMR) …

Immune response and molecular mechanisms of cardiovascular adverse effects of spike proteins from SARS-CoV-2 and mRNA vaccines

P Bellavite, A Ferraresi, C Isidoro - Biomedicines, 2023 - mdpi.com
The SARS-CoV-2 (severe acute respiratory syndrome coronavirus responsible for the
COVID-19 disease) uses the Spike proteins of its envelope for infecting target cells …

Identification of phytocompounds from Houttuynia cordata Thunb. as potential inhibitors for SARS-CoV-2 replication proteins through GC–MS/LC–MS characterization …

SK Das, S Mahanta, B Tanti, H Tag, PK Hui - Molecular diversity, 2022 - Springer
The COVID-19 pandemic caused by Severe Acute Respiratory Syndrome Coronavirus 2
(SARS-CoV-2) is a massive viral disease outbreak of international concerns. The present …

Recent understanding of the mechanisms of the biological activities of hesperidin and hesperetin and their therapeutic effects on diseases

Z Ji, W Deng, D Chen, Z Liu, Y Shen, J Dai, H Zhou… - Heliyon, 2024 - cell.com
Flavonoids are natural phytochemicals that have therapeutic effects and act in the
prevention of several pathologies. These phytochemicals can be found in lemon, sweet …