Molecular fragmentation as a crucial step in the AI-based drug development pathway.

The AI-based small molecule drug discovery has become a significant trend at the intersection of computer science and life sciences. In the pursuit of novel compounds, fragment-based drug discovery has emerged as a novel approach. The Generative Pre-trained Transformers (GPT) model has showcased remarkable prowess across various domains, rooted in its pre-training and representation learning of fundamental linguistic units.

SG-ATT: A Sequence Graph Cross-Attention Representation Architecture for Molecular Property Prediction.

Existing formats based on the simplified molecular input line entry system (SMILES) encoding and molecular graph structure are designed to encode the complete semantic and structural information of molecules. However, the physicochemical properties of molecules are complex, and a single encoding of molecular features from SMILES sequences or molecular graph structures cannot adequately represent molecular information. Aiming to address this problem, this study proposes a sequence graph cross-attention (SG-ATT) representation architecture for a molecular property prediction model to efficiently use domain knowledge to enhance molecular graph feature encoding and combine the features of molecular SMILES sequences.

FOTF-CPI: A compound-protein interaction prediction transformer based on the fusion of optimal transport fragments.

Compound-protein interaction (CPI) affinity prediction plays an important role in reducing the cost and time of drug discovery. However, the interpretability of how fragments function in CPI is impacted by the fact that current methods ignore the affinity relationships between fragments of compounds and fragments of proteins in CPI modeling. This article introduces an improved Transformer called FOTF-CPI (a Fusion of Optimal Transport Fragments compound-protein interaction prediction model).

Novel approach by natural language processing for COVID-19 knowledge discovery.

Background: The impact of COVID-19 on public health has mandated an 'all hands on deck' scientific response. The current clinical study and basic research on COVID-19 are mainly based on existing publications or our knowledge of coronavirus. However, efficiently retrieval of accurate, relevant knowledge on COVID-19 can pose significant challenges for researchers.

S2DV: converting SMILES to a drug vector for predicting the activity of anti-HBV small molecules.

In the past few decades, chronic hepatitis B caused by hepatitis B virus (HBV) has been one of the most serious diseases to human health. The development of innovative systems is essential for preventing the complex pathogenesis of hepatitis B and reducing side effects caused by drugs. HBV inhibitory drugs have been developed through various compounds, and they are often limited by routine experimental screening and delay drug development.

Erythrocyte-mimicking subcutaneous platform with a laser-controlled treatment against diabetes.

Exogenous insulin (INS) is critical for managing diabetes. However, owing to its short in vivo half-life, frequent injection of INS is un-avoidable, which is both painful and inconvenient, compromising the quality of life. Herein, we developed a laser-regulated INS release system (INS-ICG@ER hydrogel) that allowed an on-demand release of INS from the subcutaneous INS reservoir by remote laser control without the frequent injection of INS.

SARS-CoV-2: minireview and review of first case in Foshan, China.

https://bit.ly/3eD81qj.

Overcoming Hypoxia-Restrained Radiotherapy Using an Erythrocyte-Inspired and Glucose-Activatable Platform.

Radiotherapy (RT) as one of the most powerful cancer treatment strategies has been greatly restricted by tumor hypoxia. A mounting effort has been devoted to develop oxygen delivery systems for boosting the RT effect. Unluckily, those systems only supplied modest oxygen, which could not afford more than once and long-time RT.

[Acute myocardial infarction complicated with cardiac arrest successfully managed by extracorporeal membrane oxygenation combined with intra-aortic balloon counterpulsation: a case report].

Patients in acute myocardial infarction (AMI) with serious complications such as malignant ventricular arrhythmia and cardiogenic shock couldn't receive emergency percutaneous coronary intervention (PCI) procedures and had high perioperative mortality. A case of AMI patients who suffered cardiac arrest and long-term cardiopulmonary resuscitation (CPR) was admitted to the department of critical care medicine of the First People's Hospital of Foshan. With the assistance of extracorporeal membrane oxygenation (ECMO), PCI and intra-aortic balloon counterpulsation (IABP) were performed.

Cadmium Disrupts the Balance between Hydrogen Peroxide and Superoxide Radical by Regulating Endogenous Hydrogen Sulfide in the Root Tip of .

Cd (cadmium) stress always alters the homeostasis of ROS (reactive oxygen species) including HO (hydrogen sulfide) and [Formula: see text] (superoxide radical), leading to the oxidative injury and growth inhibition in plants. In addition to triggering oxidative injury, ROS has been suggested as important regulators modulating root elongation. However, whether and how Cd stress induces the inhibition of root elongation by differentially regulating endogenous HO and [Formula: see text], rather than by inducing oxidative injury, remains elusive.