A Review of In Silico Approaches for Discovering Natural Viral Protein Inhibitors in Aquaculture Disease Control

Journal of Fish Diseases, Journal Year: 2025, Volume and Issue: unknown

Published: March 20, 2025

Viral diseases pose a significant threat to the sustainability of global aquaculture, causing economic losses and compromising food security. Traditional control methods often demonstrate limited effectiveness, highlighting need for alternative approaches. The integration computational discovery natural compounds shows promise in developing antiviral treatments. This review critically explores how both traditional advanced silico techniques can efficiently identify with potential inhibitory effects on key pathogenic proteins major aquaculture pathogens. It highlights fundamental approaches, including structure-based ligand-based drug design, high-throughput virtual screening, molecular docking, absorption, distribution, metabolism, excretion toxicity (ADMET) profiling. Molecular dynamics simulations serve as comprehensive framework understanding interactions stability candidate drugs an approach, reducing extensive wet-lab experiments providing valuable insights targeted therapeutic development. covers entire process, from initial screening promising candidates their subsequent experimental validation. also proposes integrating tools enhance efficiency aquaculture. Finally, we explore future perspectives, particularly artificial intelligence multi-omics These innovative technologies significantly accelerate identification optimisation antivirals, contributing sustainable disease management

Language: Английский

Use of Nicotinamide Mononucleotide as Non-Natural Cofactor

Catalysts, Journal Year: 2025, Volume and Issue: 15(1), P. 37 - 37

Published: Jan. 3, 2025

Nicotinamide mononucleotide (NMN) has emerged as a promising non-natural cofactor with significant potential to transform biocatalysis, synthetic biology, and therapeutic applications. By modulating NAD⁺ metabolism, NMN offers unique advantages in enzymatic reactions, metabolic engineering, regenerative medicine. This review provides comprehensive analysis of NMN’s biochemical properties, mechanisms action, diverse Emphasis is placed on its role addressing challenges multi-enzyme cascades, biofuel production, the synthesis high-value chemicals. The paper also highlights critical research gaps, including need for scalable methods, improved integration into systems, toxicity studies use. Emerging technologies such AI-driven enzyme design CRISPR-based genome engineering are discussed transformative tools optimizing NMN-dependent pathways. Furthermore, synergistic biology innovations, cell-free systems dynamic regulatory networks, explored, paving way precise modular biotechnological solutions. Looking forward, versatility positions it pivotal tool advancing sustainable bioprocessing precision Addressing current limitations through interdisciplinary approaches will enable redefine boundaries innovation. serves roadmap leveraging across scientific industrial domains.

Language: Английский

Prioritization of multiple disease target compounds (MDTC) of Sorghum bicolor: a molecular docking and dynamics simulation strategy

Discover Chemistry., Journal Year: 2025, Volume and Issue: 2(1)

Published: April 10, 2025

Language: Английский