Harnessing the potential of phytochemicals to design anti-filarial molecules targeting the MurE enzyme of : a hierarchical virtual screening and molecular dynamics simulation study.

, a causative agent of lymphatic filariasis, relies on its endosymbiont for survival. MurE ligase, a key enzyme in peptidoglycan biosynthesis, serves as a promising drug target for anti-filarial therapy. In this study, we employed a hierarchical virtual screening pipeline to identify phytochemical inhibitors targeting the MurE enzyme of the endosymbiont of (MurE).

Determinants of illicit substance use among young adults in a coastal town of South India: A mixed-methods study.

Background: Illicit substance use is a major social issue affecting youth worldwide. Early identification of its drivers is essential to implement effective interventions and protect youth from its harmful consequences.

Aim: To examine patterns and risk factors of illicit substance use among young adults and explore perceptions of students and teachers on the issue.

Progress in Precision Synthesis of Supramolecular Copolymers.

Supramolecular copolymerization has emerged as a promising tool to organize multiple components in solution. Theoretically, mixing more than one component in solution can lead to different architectures, such as narcissistic, social, blocky, and random. However, controlling the formation of a specific copolymer structure during supramolecular copolymerization remains elusive, owing to the dynamic and reversible nature of non-covalent interactions between the constituent monomers, which facilitate rapid monomer exchange and reorganization in solution.

Structure-based designing of anti-filarial molecules targeting the key antioxidant enzyme glutathione peroxidase (GPx) of Wuchereria bancrofti: An integrated in silico and in vitro approach.

Lymphatic filariasis (LF) or Wuchereriasis, also known as elephantiasis, is a debilitating and disfiguring parasitic disease transmitted by mosquitoes and is categorized as a neglected tropical disease (NTD). Globally, 90 % of filarial infections are caused by W. bancrofti.

Advancements in AI for Computational Biology and Bioinformatics: A Comprehensive Review.

The field of computational biology and bioinformatics has seen remarkable progress in recent years, driven largely by advancements in artificial intelligence (AI) technologies. This review synthesizes the latest developments in AI methodologies and their applications in addressing key challenges within the field of computational biology and bioinformatics. This review begins by outlining fundamental concepts in AI relevant to computational biology, including machine learning algorithms such as neural networks, support vector machines, and decision trees.