Search
Search Results
-
Identification of potential inhibitor against Leishmania donovani mitochondrial DNA primase through in-silico and in vitro drug repurposing approaches
Leishmania donovani is the causal organism of leishmaniasis with critical health implications affecting about 12 million people around the globe. Due...
-
MIL-125-based nanocarrier decorated with Palladium complex for targeted drug delivery
The aim of this work was to provide a novel approach to designing and synthesizing a nanocomposite with significant biocompatibility,...
-
A 3D adrenocortical carcinoma tumor platform for preclinical modeling of drug response and matrix metalloproteinase activity
Adrenocortical carcinoma (ACC) has a poor prognosis, and no new drugs have been identified in decades. The absence of drug development can partly be...
-
Performance and robustness of small molecule retention time prediction with molecular graph neural networks in industrial drug discovery campaigns
This study explores how machine-learning can be used to predict chromatographic retention times (RT) for the analysis of small molecules, with the...
-
MasitinibL shows promise as a drug-like analog of masitinib that elicits comparable SARS-Cov-2 3CLpro inhibition with low kinase preference
SARS-CoV-2 infection has led to several million deaths worldwide and ravaged the economies of many countries. Hence, develo** therapeutics against...
-
Numerical learning of deep features from drug-exposed cell images to calculate IC50 without staining
To facilitate rapid determination of cellular viability caused by the inhibitory effect of drugs, numerical deep learning algorithms was used for...
-
Plackett–Burman screening of physico-chemical variables affecting Citrus peel-mediated synthesis of silver nanoparticles and their antimicrobial activity
With the growing resistance of pathogenic microbes to traditional drugs, biogenic silver nanoparticles (SNPs) have recently drawn attention as potent...
-
Machine learning based personalized drug response prediction for lung cancer patients
Lung cancers with a mutated epidermal growth factor receptor (EGFR) are a major contributor to cancer fatalities globally. Targeted tyrosine kinase...
-
Integrated profiling of human pancreatic cancer organoids reveals chromatin accessibility features associated with drug sensitivity
Chromatin accessibility plays an essential role in controlling cellular identity and the therapeutic response of human cancers. However, the...
-
Morphological screening of mesenchymal mammary tumor organoids to identify drugs that reverse epithelial-mesenchymal transition
The epithelial-mesenchymal transition (EMT) has been implicated in conferring stem cell properties and therapeutic resistance to cancer cells....
-
Machine learning assisted rational design of antimicrobial peptides based on human endogenous proteins and their applications for cosmetic preservative system optimization
Preservatives are essential components in cosmetic products, but their safety issues have attracted widespread attention. There is an urgent need for...
-
Evaluating different web applications to assess the toxicity of plasticizers
Plasticizers increase the flexibility of plastics. As environmental leachates they lead to increased water and soil pollution, as well as to serious...
-
Genome-wide screening in pluripotent cells identifies Mtf1 as a suppressor of mutant huntingtin toxicity
Huntington’s disease (HD) is a neurodegenerative disorder caused by CAG-repeat expansions in the huntingtin ( HTT ) gene. The resulting mutant HTT...
-
Lipid-coated mesoporous silica nanoparticles for anti-viral applications via delivery of CRISPR-Cas9 ribonucleoproteins
Emerging and re-emerging viral pathogens present a unique challenge for anti-viral therapeutic development. Anti-viral approaches with high...
-
Late-stage synthesis of heterobifunctional molecules for PROTAC applications via ruthenium-catalysed C‒H amidation
PROteolysis TArgeting Chimeras (PROTACs) are heterobifunctional molecules emerging as a powerful modality in drug discovery, with the potential to...
-
Leveraging molecular structure and bioactivity with chemical language models for de novo drug design
Generative chemical language models (CLMs) can be used for de novo molecular structure generation by learning from a textual representation of...
-
A unified drug–target interaction prediction framework based on knowledge graph and recommendation system
Prediction of drug-target interactions (DTI) plays a vital role in drug development in various areas, such as virtual screening, drug repurposing and...
-
Efficient Drug Screening and Nephrotoxicity Assessment on Co-culture Microfluidic Kidney Chip
The function and susceptibility of various drugs are tested with renal proximal tubular epithelial cells; yet, replicating the morphology and kidneys...
-
Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site
Anti-IL17A therapies have proven effective for numerous inflammatory diseases including psoriasis, axial spondylitis and psoriatic arthritis....
-
Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19
The SARS-CoV-2 3CL protease is a critical drug target for small molecule COVID-19 therapy, given its likely druggability and essentiality in the...
