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Ligand-Conditioned Side Chain Packing for Flexible Molecular Docking.

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Molecular docking is a crucial technique for elucidating protein-ligand interactions. Machine learning-based docking methods offer promising advantages over traditional approaches, with significant potential for further development. However, many current machine learning-based methods face challenges in ensuring the physical plausibility of generated docking poses.

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Department of Laboratory Medicine, School of Medicine, Yangtze University, Jingzhou 434023, P.R. China.

Acylaminoacyl-peptide hydrolase (APEH), a serine peptidase that belongs to the prolyl oligopeptidase (POP) family, catalyzes removal of N-terminal acetylated amino acid residues from peptides. As a key regulator of protein N-terminal acetylation, APEH was involved in many important physiological processes while its aberrant expression was correlated with progression of various diseases such as inflammation, diabetics, Alzheimer's disease (AD), and cancers. However, while emerging attention has been attracted in APEH-related disease diagnosis and drug discovery, the mechanisms behind APEH and related disease progression are still unclear; thus, further investigating the physiological role and function of APEH is of great importance.

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Current study investigates the medicinal applications of (Palash), the state flower of Jharkhand, India, focusing on synthesising biomodified copper oxide nanoparticles (CuO-NPs) and its antifungal properties. Flavonoid content in the flower extract was quantified by aluminium chloride colorimetric analysis. CuO-NPs were synthesised via co-precipitation method and then modified with methanolic flower extract.

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Unveiling the Phytochemical Diversity and Bioactivity of : A First Report Integrating Experimental and In Silico Approaches.

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Department of Molecular Biology and Genetics, Faculty of Science, Kilis 7 Aralik University, 79000 Kilis, Türkiye.

: The genus is renowned for its diverse bioactive potential, yet the chemical composition and biological properties of remain inadequately explored. This study aimed to investigate the chemical profile, antioxidant capacity, and enzyme inhibitory activities of methanol extracts from various plant parts of . : Methanol extracts were obtained from leaves, stems, flowers, roots, and aerial portions of .

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Antiviral Activity and Underlying Mechanism of Aqueous Extract for Treating SARS-CoV-2.

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Key Laboratory of Public Health Detection and Etiological Research of Zhejiang Province, Department of Microbiology, Zhejiang Provincial Center for Disease Control and Prevention, Hangzhou 310051, China.

Despite the widespread use of COVID-19 vaccines, there is still a global need to find effective therapeutics to deal with the variants of SARS-CoV-2. (MH) is a herbal medicine credited with antiviral effects. This study aims to investigate the antiviral effects and the underlying mechanism of aqueous extract of (AEMH) for treating SARS-CoV-2.

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