Revisiting Structure-activity Relationships: Unleashing the potential of selective Janus kinase 1 inhibitors

M Shan, X Zhao, P Sun, X Qu, G Cheng, LP Qin - Bioorganic Chemistry, 2024 - Elsevier
Janus kinases (JAKs), a kind of non-receptor tyrosine kinases, the function has been
implicated in the regulation of cell proliferation, differentiation and apoptosis, immune …

From 2015 to 2023: How Machine Learning Aids Natural Product Analysis

S Shi, Z Huang, X Gu, X Lin, C Zhong, J Hang, J Lin… - Chemistry Africa, 2024 - Springer
In recent years, conventional chemistry techniques have faced significant challenges due to
their inherent limitations, struggling to cope with the increasing complexity of and volume of …

Design, Synthesis, Biological Evaluation and Docking Study of A New Series of 9‐aminoacridine Derivatives as Anti‐inflammatory Agents

Z Zhao, J Song, Y Shang, M Shan, L Tang… - …, 2024 - Wiley Online Library
aminacrine (9‐AA), an external antibacterial agent, possesses important bioactivities for the
treatment of cancer, viruses, and prion diseases. Recent research has revealed that 9‐AA …

Challenges and Opportunities in the Application of Chemometrics in the Pharmaceutical and Food Science Industries.

A Bărbulescu, L Barbeș - Journal of Chemistry, 2022 - search.ebscohost.com
Nowadays, water, air, and soil pollution significantly impact the environment, the plants'
growth, and food quality, given that many plants act as bioaccumulators. Results showed …

Computer-aided methods for molecular classification

A Bărbulescu, L Barbeș, CȘ Dumitriu - Mathematics, 2022 - mdpi.com
The study aims to analyze the degree of similarity of some molecules belonging to two
subgroups of Aminoalkylindoles. After extracting the molecules' characteristics using …

The New Model of Sustainable Development and Economic Performance at European Level in the Current Geopolitical Context.

C Zamfirescu, A Cotirla - … of the University Dunarea de Jos of …, 2024 - search.ebscohost.com
Abstract During the period 2010-2022, the European Union has successively gone through
multiple economic, social and health crises that have affected the economic security of the …

Study of the additives for polymeric materials by cheminformatics methods

A Bărbulescu, L Barbes… - IOP Conference Series …, 2022 - iopscience.iop.org
This article analyzes the structures of some antioxidants, UV stabilizers, and inhibitors
utilized to improve the polymeric materials' functionalities using Cheminformatics tools …

HUBUNGAN KUANTITATIF STRUKTUR-PROPERTI (HKSP) SENYAWA AKTIF TEMU KUNCI (BOESENBERGIA PANDURATA) SEBAGAI PENGHAMBAT ENZIM …

AP Widiyana - 2022 - repository.unisma.ac.id
Hubungan parameter fisikokimia dari 15 senyawa aktif Boesenbergia pandurata dalam
menghambat enzim main protease SARS-CoV-2 diprediksi melalui model Hubungan …