Quantum chemical calculation, topological analysis, biological evaluation and molecular docking of allo‐ocimenol against breast cancer

K Chandran, A Zochedh, S Sukumaran… - … Journal of Quantum …, 2024 - Wiley Online Library
The main aim of this study is to identify the structural stability of allo‐ocimenol and its
molecular reactivity against breast cancer‐associated proteins to confirm its anti‐cancer …

Structural engineering and truncation of α-amylase from the hyperthermophilic archaeon Methanocaldococcus jannaschii

M Shad, M Sajjad, QA Gardner, S Ahmad… - International Journal of …, 2024 - Elsevier
Alpha amylases catalyse the hydrolysis of α-1, 4-glycosidic bonds in starch, yielding
glucose, maltose, dextrin, and short oligosaccharides, vital to various industrial processes …

[PDF][PDF] Antioxidant, anti-inflammatory, and anxiolytic-like effects of urena sinuata L.: in vitro, in vivo, and in silico studies

H Kamli, MH Bappi, T Islam, R Hossain… - J. Biol. Regul …, 2023 - researchgate.net
Background: Urena sinuata L. is a shrubby wild plant used for centuries in folk medicine to
treat bronchitis, rheumatism, fever, and waist pain. It is evident that it possesses antioxidant …

Molecular docking studies of phytocompounds from Artemisia monosperma against ERK2 kinase in lung cancer

SP Gurjar, A Gupta, A Roy - Journal of Molecular Chemistry, 2023 - pubs.thesciencein.org
Plants contain secondary metabolites with pharmacological properties. The focus is on
commercializing natural bioactive compounds. We focused on studying Artemisia …

Evaluation of tetracycline photocatalytic degradation using NiFe2O4/CeO2/GO nanocomposite for environmental remediation: In silico molecular docking, antibacterial …

R Nawaz, MH Aziz, M Asif, F Noor, A Aligayev… - Separation and …, 2024 - Elsevier
Graphene-based nanostructures with distinct structural and physicochemical characteristics
may be able to photodegrade antibiotics effectively. Herein, this study reports the successful …

Force‐regulated chaperone activity of BiP/ERdj3 is opposite to their homologs DnaK/DnaJ

S Banerjee, D Chowdhury, S Chakraborty… - Protein …, 2024 - Wiley Online Library
Polypeptide chains experience mechanical tension while translocating through cellular
tunnels, which are subsequently folded by molecular chaperones. However, interactions …

[HTML][HTML] Exploring the anticancer and antibacterial potential of naphthoquinone derivatives: a comprehensive computational investigation

MH Meem, SB Yusuf, SS Al Abbad, S Rahman… - Frontiers in …, 2024 - frontiersin.org
This study investigates the potential of 2-(4-butylbenzyl)-3-hydroxynaphthalene-1, 4-dione
(11) and its 12 derivatives as anticancer and biofilm formation inhibitors for methicillin …

Structural changes and anti-hepatocellular carcinoma activity of interferon-γ after interaction with sinensetin

F Feng, T Li, Y Liang, W Gao, L Yang - International Journal of Biological …, 2023 - Elsevier
Exploring the interaction of small molecules with therapeutic proteins can provide useful
information about development of ligand-protein complexes as synergistically therapeutic …

[HTML][HTML] Metabolomic Profiling of Leptadenia reticulata: Unveiling Therapeutic Potential for Inflammatory Diseases through Network Pharmacology and Docking …

Y Mallepura Adinarayanaswamy, D Padmanabhan… - Pharmaceuticals, 2024 - mdpi.com
Medicinal plants have been utilized since ancient times for their therapeutic properties,
offering potential solutions for various ailments, including epidemics. Among these …

[HTML][HTML] Anti-black pod disease activity of leaf extract of Carica papaya Linn

T Woasiedem, I Amoako-Attah, FA Armah… - Journal of Natural …, 2024 - Elsevier
Abstract Background Theobroma cacao (Cocoa) is a major foreign exchange earner for
Ghana. Over the recent decades, there has been a consistent decline in cocoa production in …