Molecules (Basel, Switzerland)
Dec 16, 2024
Antibodies play critical roles in modern medicine, serving as diagnostics and therapeutics for various diseases due to their ability to specifically bind to target antigens. Traditional antibody discovery and optimization methods are time-consuming a...
Molecules (Basel, Switzerland)
Dec 13, 2024
Machine learning and artificial intelligence tools were used to investigate the discriminatory potential of blood serum metabolites for thromboembolism and antiphospholipid syndrome (APS). H-NMR-based metabonomics data of the serum samples of patient...
Molecules (Basel, Switzerland)
Sep 29, 2024
The field of computational protein engineering has been transformed by recent advancements in machine learning, artificial intelligence, and molecular modeling, enabling the design of proteins with unprecedented precision and functionality. Computati...
Molecules (Basel, Switzerland)
Sep 11, 2024
Objective biomarkers are crucial for early diagnosis to promote treatment and raise survival rates for diseases. With the smallest non-coding RNAs-piwi-RNAs (piRNAs)-and their transcripts, we sought to identify if these piRNAs could be used as biomar...
Molecules (Basel, Switzerland)
Aug 21, 2024
The dried ripe fruit of Retz. is a common Chinese materia medica, and ellagic acid (EA), isolated from the plant, is an important bioactive component for medicinal purposes. This study aimed to delineate the optimal extraction parameters for extract...
Molecules (Basel, Switzerland)
Aug 2, 2024
Despite extensive efforts, current drug-delivery systems face biological barriers and difficulties in bench-to-clinical use. Biomedical robotic systems have emerged as a new strategy for drug delivery because of their innovative diminutive engines. T...
Molecules (Basel, Switzerland)
Jul 28, 2024
The development of new methods of identification of active pharmaceutical ingredients (API) is a subject of paramount importance for research centers, the pharmaceutical industry, and law enforcement agencies. Here, a system for identifying and class...
Molecules (Basel, Switzerland)
Jul 26, 2024
The rational design, activity prediction, and adaptive application of biological elements (bio-elements) are crucial research fields in synthetic biology. Currently, a major challenge in the field is efficiently designing desired bio-elements and acc...
Molecules (Basel, Switzerland)
Jul 18, 2024
Inhibiting MDM2-p53 interaction is considered an efficient mode of cancer treatment. In our current study, Gaussian-accelerated molecular dynamics (GaMD), deep learning (DL), and binding free energy calculations were combined together to probe the bi...
Molecules (Basel, Switzerland)
Jul 3, 2024
According to the World Health Organization (WHO) and the International Agency for Research on Cancer (IARC), the number of cancer cases and deaths worldwide is predicted to nearly double by 2030, reaching 21.7 million cases and 13 million fatalities....