Type 2 diabetes mellitus (T2DM) remains a global health challenge, prompting the development of novel α-glucosidase inhibitors (AGIs) to regulate postprandial hyperglycemia. This study reports the design, synthesis, and evaluation of indole-bas...
Type 2 diabetes mellitus (T2DM) demands safer and more effective therapies to control postprandial hyperglycemia. Here, we report the synthesis and in vitro evaluation of ten salicylic acid-derived Schiff base derivatives (4a–4j) as α-glu...
To accurately detect ships of arbitrary orientation in optical remote sensing images, we propose a two-stage CNN-based ship-detection method based on the ship center and orientation prediction. Center region prediction network and ship orientation cl...
Drug discovery is an intricate and resource-intensive process in which computational approaches, such as molecular docking, are essential, particularly in the early stages, to identify potential hits. However, docking still has many drawbacks, includ...
Virtual screening (VS) workflows often combine structure- and ligand-based methods; however, their value depends on the number of compounds that can be tested. We benchmarked 20 fixed-budget strategies derived from molecular docking (GNINA CNN score)...
Modeling the binding pose of an antibody is a prerequisite to structure-based affinity maturation and design. Without knowing a reliable binding pose, the subsequent structural simulation is largely futile. In this study, we have developed a method o...
Human dihydrofolate reductase (hDHFR) is a key enzyme in folate metabolism and an established therapeutic target in cancer and other diseases. Methotrexate (MTX), a clinically used hDHFR inhibitor, is effective but associated with toxicity and resist...
Accurately predicting ligand binding affinity in a virtual screening campaign is still challenging. Here, we developed hybrid neural network (HNN) machine deep learning methods, HNN-denovo and HNN-affinity, by combining the 3D-CNN (convolutional neur...
Ylang-ylang essential oil (YEO), obtained from Cananga odorata, contains chemically diverse constituents with potential anticancer activity that warrants further investigation. This study investigated the anti-breast-cancer potential of YEO through a...
Background: Chronic low-grade inflammation underlies numerous chronic diseases, yet the molecular targets of dietary bioactive compounds remain largely unknown. Methods: We developed a deep learning model integrating heterogeneous network propagation...
Weed identification and quantification are processes that are usually manual, subjective, and error-prone. Weeds compete with crops for nutrients, minerals, physical space, sunlight, and water. Thus, weed identification is a crucial component of prec...
To achieve automation at the inner corner guard installation station in a steel coil packaging production line and enable automatic docking and installation of the inner corner guard after eye position detection, this paper proposes a binocular visio...
Excessive melanin production causes hyperpigmentation disorders such as freckles, melasma, and age spots, affecting appearance and quality of life. Tyrosinase is the key enzyme controlling melanin synthesis, and natural compounds are being explored a...
Background: Diabetic cardiomyopathy (DCM) is characterized by metabolic dysfunction, inflammation, extracellular matrix (ECM) remodeling, and myocardial fibrosis. Increasing evidence suggests that ferroptosis-associated oxidative injury may contribut...
Background/Objectives: Endocrine resistance due to activating mutations in the estrogen receptor alpha (ERα), especially Y537S, is still a big challenge in the treatment of hormone receptor-positive breast cancer, and there is a need to develop...