In Silico Exploration of Isoxazole Derivatives of Usnic Acid: Novel Therapeutic Prospects Against α-Amylase for Diabetes Treatment.

Diabetes mellitus (DM) a metabolic disorder characterized by high blood sugar levels causing damage to various organs over time. Current anti-diabetic drugs have limitations and side effects, prompting a search for new inhibitors targeting the α-amylase enzyme. This study aims to discover such inhibitors from thirty isoxazole derivatives of usnic acid using in silico approaches.

Selected phytochemicals of L. as potential anti-DENV-2 through the docking, DFT and molecular dynamic simulation.

Dengue fever is now one of the major global health concerns particularly for tropical and sub-tropical countries. However, there has been no FDA approved medication to treat dengue fever. Researchers are looking into DENV NS5 RdRp protease as a potential therapeutic target for discovering effective anti-dengue agents.

A new graph-based molecular descriptor using the canonical representation of the molecule.

Molecular similarity is a pervasive concept in drug design. The basic idea underlying molecular similarity is the similar property principle, which states that structurally similar molecules will exhibit similar physicochemical and biological properties. In this paper, a new graph-based molecular descriptor (GBMD) is introduced.

Spinal cord injury rehabilitation: which way forward?

Background: Spinal cord injury (SCI), damage to spinal cord, influences the ability of the subjects to stand and walk. Moreover, they have some problems such as osteoporosis, muscle spasm, joint contracture and bowel and bladder function. These subjects use various orthoses and undergo different rehabilitation programmes to restore their ability.

Voting-based consensus clustering for combining multiple clusterings of chemical structures.

Background: Although many consensus clustering methods have been successfully used for combining multiple classifiers in many areas such as machine learning, applied statistics, pattern recognition and bioinformatics, few consensus clustering methods have been applied for combining multiple clusterings of chemical structures. It is known that any individual clustering method will not always give the best results for all types of applications. So, in this paper, three voting and graph-based consensus clusterings were used for combining multiple clusterings of chemical structures to enhance the ability of separating biologically active molecules from inactive ones in each cluster.

Development of Bio-PORec® system for polyhydroxyalkanoates (PHA) production and its storage in mixed cultures of palm oil mill effluent (POME).

High PHA production and storage using palm oil mill effluent (POME) was investigated using a laboratory batch Bio-PORec® system under aerobic-feeding conditions. Results showed that maximum PHA was obtained at a specific rate (q(p)) of 0.343 C-mol/C-molh when air was supplied at 20 ml/min.

Optimization of nitrogen and phosphorus limitation for better biodegradable plastic production and organic removal using single fed-batch mixed cultures and renewable resources.

The process for the production of biodegradable plastic material (polyhydroxyalkanoates, PHAs) from microbial cells by mixed-bacterial cultivation using readily available waste (renewable resources) is the main consideration nowadays. These observations have shown impressive results typically under high carbon fraction, COD/N and COD/P (usually described as nutrient-limiting conditions) and warmest temperature (moderate condition). Therefore, the aim of this work is predominantly to select mixed cultures under high storage responded by cultivation on a substrate - non limited in a single batch reactor with shortest period for feeding and to characterize their storage response by using specific and kinetics determination.