Lauritano Chiara, Montuori Eleonora, De Falco Gabriele, Carrella Sabrina
Ecosustainable Marine Biotechnology Department, Stazione Zoologica Anton Dohrn, Via Acton 55, 80133 Napoli, Italy.
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina, Viale F. Stagno d'Alcontres 31, 98166 Messina, Italy.
Antioxidants (Basel). 2023 Mar 13;12(3):710. doi: 10.3390/antiox12030710.
Marine organisms have been reported to be valuable sources of bioactive molecules that have found applications in different industrial fields. From organism sampling to the identification and bioactivity characterization of a specific compound, different steps are necessary, which are time- and cost-consuming. Thanks to the advent of the -omic era, numerous genome, metagenome, transcriptome, metatranscriptome, proteome and microbiome data have been reported and deposited in public databases. These advancements have been fundamental for the development of in silico strategies for basic and applied research. In silico studies represent a convenient and efficient approach to the bioactivity prediction of known and newly identified marine molecules, reducing the time and costs of "wet-lab" experiments. This review focuses on in silico approaches applied to bioactive molecule discoveries from marine organisms. When available, validation studies reporting a bioactivity assay to confirm the presence of an antioxidant molecule or enzyme are reported, as well. Overall, this review suggests that in silico approaches can offer a valuable alternative to most expensive approaches and proposes them as a little explored field in which to invest.
据报道,海洋生物是生物活性分子的宝贵来源,这些生物活性分子已在不同工业领域得到应用。从生物体采样到特定化合物的鉴定和生物活性表征,需要不同的步骤,既耗时又费钱。由于“组学”时代的到来,已报道了大量的基因组、宏基因组、转录组、宏转录组、蛋白质组和微生物组数据,并将其存入公共数据库。这些进展对于基础研究和应用研究的计算机策略的发展至关重要。计算机研究是预测已知和新鉴定的海洋分子生物活性的一种便捷高效的方法,减少了“湿实验室”实验的时间和成本。本综述重点关注应用于从海洋生物中发现生物活性分子的计算机方法。如有可用的验证研究,也会报告用于确认抗氧化分子或酶存在的生物活性测定。总体而言,本综述表明,计算机方法可以为最昂贵的方法提供有价值的替代方案,并将其作为一个有待深入探索的投资领域提出。