Antiviral approaches against influenza virus

R Kumari, SD Sharma, A Kumar, Z Ende… - Clinical microbiology …, 2023 - Am Soc Microbiol
Preventing and controlling influenza virus infection remains a global public health
challenge, as it causes seasonal epidemics to unexpected pandemics. These infections are …

QSAR-based virtual screening: advances and applications in drug discovery

BJ Neves, RC Braga, CC Melo-Filho… - Frontiers in …, 2018 - frontiersin.org
Virtual screening (VS) has emerged in drug discovery as a powerful computational
approach to screen large libraries of small molecules for new hits with desired properties …

Machine learning-based virtual screening and its applications to Alzheimer's drug discovery: a review

KA Carpenter, X Huang - Current pharmaceutical design, 2018 - ingentaconnect.com
Background: Virtual Screening (VS) has emerged as an important tool in the drug
development process, as it conducts efficient in silico searches over millions of compounds …

Machine learning and artificial intelligence: a paradigm shift in big data-driven drug design and discovery

P Pasrija, P Jha, P Upadhyaya… - Current Topics in …, 2022 - benthamdirect.com
Background: The lengthy and expensive process of developing a novel medicine often takes
many years and entails a significant financial burden due to its poor success rate …

Discovery of VEGFR2 inhibitors by integrating naïve Bayesian classification, molecular docking and drug screening approaches

D Kang, X Pang, W Lian, L Xu, J Wang, H Jia… - RSC …, 2018 - pubs.rsc.org
The high morbidity and mortality of cancer make it one of the leading causes of global death,
thus it is an urgent need to develop effective drugs for cancer therapy. Vascular endothelial …

DL0410 ameliorates memory and cognitive impairments induced by scopolamine via increasing cholinergic neurotransmission in mice

W Lian, J Fang, L Xu, W Zhou, D Kang, W Xiong, H Jia… - Molecules, 2017 - mdpi.com
Deficiency of the cholinergic system is thought to play a vital role in cognitive impairment of
dementia. DL0410 was discovered as a dual inhibitor of acetylcholinesterase (AChE) and …

Role of ADMET tools in current scenario: application and limitations

RK Kesharwani, VK Vishwakarma… - Computer-Aided Drug …, 2020 - Springer
High rates of drug failure cases are a challenge for the pharmaceutical industry to improve
preclinical testing. For the ADMET prediction, selection of suitable experimental data and its …

Discovery of multitarget-directed ligands against influenza a virus from compound yizhihao through a predictive system for compound-protein interactions

L Xu, W Jiang, H Jia, L Zheng, J Xing, A Liu… - Frontiers in cellular and …, 2020 - frontiersin.org
Influenza A virus (IAV) is a threat to public health due to its high mutation rate and resistance
to existing drugs. In this investigation, 15 targets selected from an influenza virus–host …

Identification of a Family of Glycoside Derivatives Biologically Active against Acinetobacter baumannii and Other MDR Bacteria Using a QSPR Model

FJ Palacios-Can, J Silva-Sánchez, I León-Rivera… - Pharmaceuticals, 2023 - mdpi.com
As the rate of discovery of new antibacterial compounds for multidrug-resistant bacteria is
declining, there is an urge for the search for molecules that could revert this tendency …

In silico approach in drug design and drug discovery: an update

N Jabalia, A Kumar, V Kumar, R Rani - Innovations and Implementations …, 2021 - Springer
Drug design and drug discovery is a passionate, prolonged, and inter-disciplinary multistep
process. The traditional drug discovery process is costly and time-consuming which …