The role of artificial intelligence in drug screening, drug design, and clinical trials

Y Wu, L Ma, X Li, J Yang, X Rao, Y Hu, J **… - Frontiers in …, 2024 - frontiersin.org
The role of computational tools in drug discovery and development is becoming increasingly
important due to the rapid development of computing power and advancements in …

Recent advances for identification of new scaffolds and drug targets for Mycobacterium tuberculosis

R Dhiman, R Singh - IUBMB life, 2018 - Wiley Online Library
Tuberculosis (TB) is a leading cause of mortality and morbidity with an estimated 1.7 billion
people latently infected with the pathogen worldwide. Clinically, TB infection presents itself …

Resveratrol mediates the apoptosis of triple negative breast cancer cells by reducing POLD1 expression

ZJ Liang, Y Wan, DD Zhu, MX Wang, HM Jiang… - Frontiers in …, 2021 - frontiersin.org
Resveratrol (RSV) is known to possess anticancer properties in many types of cancers like
breast cancer, in which POLD1 may serve as a potential target. However, the anticancer …

Quercetin impairs Streptococcus pneumoniae biofilm formation by inhibiting sortase A activity

J Wang, M Song, J Pan, X Shen, W Liu… - Journal of Cellular …, 2018 - Wiley Online Library
Biofilm formation mediated by sortase A (srtA) is important for bacterial colonisation and
resistance to antibiotics. Thus, the inhibitor of SrtA may represent a promising agent for …

[HTML][HTML] Attacking COVID-19 progression using multi-drug therapy for synergetic target engagement

MA Coban, J Morrison, S Maharjan… - Biomolecules, 2021 - mdpi.com
COVID-19 is a devastating respiratory and inflammatory illness caused by a new
coronavirus that is rapidly spreading throughout the human population. Over the past 12 …

[HTML][HTML] Epidemiology of multidrug resistance among salmonella enterica serovars typhi and paratyphi a at a tertiary pediatric hospital in India over a decade; in-silico …

A Manoharan, D Dey, S Putlibai, S Ramaiah… - International Journal of …, 2022 - Elsevier
Background Enteric fever caused by Salmonella enterica serovar typhi and Salmonella
enterica serovar paratyphi A remains one of the most common causes of community …

Towards new bioactive fluorine-containing 1, 3, 4-oxadiazole-amide derivatives: synthesis, antibacterial activity, molecular docking and molecular dynamics …

F **ong, Y Zhang, J Jiao, Y Zhu, T Mo, Y Li - Molecular Diversity, 2024 - Springer
Through the approach of molecular hybridization, this study rationally designed and
synthesized new trifluoromethyl-1, 3, 4-oxadiazole amide derivatives, denoted as 1a–1n …

[HTML][HTML] Repurposing brucine as a chemopreventive agent in mammary gland carcinoma: Regulating lactate transport through MCT-4

AK Zaidi, A Kumar, R Kumar, J Singh, S Yadav… - Toxicology Reports, 2025 - Elsevier
In the present study, we aim to identify a potential drug candidate that targets the
Monocarboxylate Transporter-4 (MCT-4) protein. Syrosingopine (SRY) is a well-established …

Integrative analysis based on the cell cycle-related genes identifies TPX2 as a novel prognostic biomarker associated with tumor immunity in breast cancer

X Liu, W Wang, B Chen, S Wang - Aging (Albany NY), 2024 - pmc.ncbi.nlm.nih.gov
Background: This study aims to identify the essential cell cycle-related genes associated
with prognosis in breast cancer (BRCA), and to verify the relationship between the central …