Integrating LC-MS/MS and In Silico Methods to Uncover Bioactive Compounds with Lipase Inhibitory Potential in the Antarctic Moss Warnstorfia fontinaliopsis.

Antarctic organisms are known for producing unique secondary metabolites, and this study specifically focuses on the less-explored metabolites of the moss Warnstorfia fontinaliopsis. To evaluate their potential bioactivity, we extracted secondary metabolites using four different solvents and identified significant lipase inhibitory activity in the methanol extract. Non-targeted metabolomic analysis using liquid chromatography-tandem mass spectrometry (LC-MS/MS) on this extract predicted the presence of 12 compounds, including several not previously reported in mosses.

Comparative genomics based exploration of xenobiotic degradation patterns in , , and isolated from diverse ecological habitats.

Xenobiotics pose a substantial threat to environmental integrity by disrupting normal ecosystems. The genus , known for its metabolic versatility can degrade several xenobiotic compounds. strains have also undergone frequent taxonomic revisions and reclassifications to strains including and .

Functional characterization and unraveling the structural determinants of novel steroid hydroxylase CYP154C7 from sp. PAMC26508.

This study characterized cytochrome P450 enzyme CYP154C7 from sp. PAMC26508, emphasizing its capability to hydroxylate steroids, especially at the 16α-position. The enzymatic assay of CYP154C7 demonstrated effective conversion across a pH range of 7.

Transcriptomic Analysis of the Combined Effects of Methyl Jasmonate and Wounding on Flavonoid and Anthraquinone Biosynthesis in .

Jasmonates, including jasmonic acid (JA) and its derivatives such as methyl jasmonate (MeJA) or jasmonly isoleucine (JA-Ile), regulate plant responses to various biotic and abiotic stresses. In this study, we applied exogenous MeJA onto leaves subjected to wounding and conducted a transcriptome deep sequencing analysis at 1 (T1), 3 (T3), 6 (T6), and 24 (T24) h after MeJA induction, along with the pretreatment control at 0 h (T0). Out of 18,883 mapped genes, we identified 10,048 differentially expressed genes (DEGs) between the T0 time point and at least one of the four treatment times.

In Silico Analysis and Biochemical Characterization of PET Hydrolase with Bis(2-Hydroxyethyl) Terephthalate Biodegradation Activity.

Polyethylene terephthalate (PET), one of the most widely used plastics in the world, causes serious environmental problems. Recently, scientists have been focused on the enzymatic degradation of PET, an environmentally friendly method that offers an attractive approach to the degradation and recycling of PET. In this work, PET hydrolase from sp.

Structure, dimeric conformation, and coenzyme versatility of p-hydroxybenzoate hydroxylase from Arthrobacter sp. PAMC25564.

p-Hydroxybenzoate hydroxylase (PHBH) catalyzes the ortho-hydroxylation of 4-hydroxybenzoate (4-HB) to protocatechuate (PCA). PHBHs are commonly known as homodimers, and the prediction of pyridine nucleotide binding and specificity remains an ongoing focus in this field. Therefore, our study aimed to determine the dimerization interface in AspPHBH from Arthrobacter sp.

Exploration of novel trehalases from cold-adapted Variovorax sp. PAMC28711: Functional characterization.

The cold-adapted bacterium Variovorax sp. PAMC28711 possesses two distinct glycoside hydrolase (GH) families of trehalase, GH15 and GH37. While numerous studies have explored bacterial trehalase, the presence of two different trehalase genes within a single strain has not been reported until now.

Self-clustered GAN for precipitation nowcasting.

This paper proposes a novel GAN framework with self-clustering approach for precipitation nowcasting (ClusterCast). Previous studies have primarily captured the motion vector using only a single latent space, making the models difficult to adapt to disparate space-time distribution of precipitation. Environmental factors (e.

Insights into group-specific pattern of secondary metabolite gene cluster in genus.

is a versatile strain that has expanded into several genera. It has been steadily reported that the genome features of exhibit activities ranging from plant growth promotion to pathogenicity across various isolation areas. The objective of this study was to investigate the secondary metabolite patterns of 366 species through comparative genomics.

Comparative Genome Analysis of Polar sp. PAMC28654 to Gain Insight into Tolerance to Salinity and Trace Element Stress.

In this study, sp. PAMC28654 was isolated from a soil sample collected from the polar region of Uganda. Whole-genome sequencing and comparative genomics were performed to better understand the genomic features necessary for sp.

Analysis of critical residues for peroxygenation and improved peroxygenase activity via HO generation in CYP105D18.

Limited numbers of CYPs have been reported to work naturally as peroxygenases. The peroxide shunt pathway can be efficiently used as an alternative for the NAD(P)H and reductase systems, particularly in high hydrogen peroxide (HO) resistance CYPs. We reported the structural and biochemical features of CYP105D18 peroxygenase for its high HO tolerance capacity.

Evidential deep learning for trustworthy prediction of enzyme commission number.

The rapid growth of uncharacterized enzymes and their functional diversity urge accurate and trustworthy computational functional annotation tools. However, current state-of-the-art models lack trustworthiness on the prediction of the multilabel classification problem with thousands of classes. Here, we demonstrate that a novel evidential deep learning model (named ECPICK) makes trustworthy predictions of enzyme commission (EC) numbers with data-driven domain-relevant evidence, which results in significantly enhanced predictive power and the capability to discover potential new motif sites.

Elucidation of cold adaptation in sp. PAMC28666 with special focus on trehalose biosynthesis.

sp. PAMC28666, an extremophilic bacterium thriving in Antarctic soil and belonging to the family, represents the only complete genome of its genus available in the NCBI database. Its genome measures 5.

ResBiGAAT: Residual Bi-GRU with attention for protein-ligand binding affinity prediction.

Protein-ligand interaction plays a crucial role in drug discovery, facilitating efficient drug development and enabling drug repurposing. Several computational algorithms, such as Graph Neural Networks and Convolutional Neural Networks, have been proposed to predict the binding affinity using the three-dimensional structure of ligands and proteins. However, there are limitations due to the need for experimental characterization of the three-dimensional structure of protein sequences, which is still lacking for some proteins.

Biochemical and structural basis of mercuric reductase, GbsMerA, from Gelidibacter salicanalis PAMC21136.

Heavy metals, including mercury, are non-biodegradable and highly toxic to microorganisms even at low concentrations. Understanding the mechanisms underlying the environmental adaptability of microorganisms with Hg resistance holds promise for their use in Hg bioremediation. We characterized GbsMerA, a mercury reductase belonging to the mercury-resistant operon of Gelidibacter salicanalis PAMC21136, and found its maximum activity of 474.

Elucidation of bacterial trehalose-degrading trehalase and trehalose phosphorylase: physiological significance and its potential applications.

Bacteria possess diverse metabolic and genetic processes, resulting in the inability of certain bacteria to degrade trehalose. However, some bacteria do have the capability to degrade trehalose, utilizing it as a carbon source, and for defense against environmental stress. Trehalose, a disaccharide, serves as a carbon source for many bacteria, including some that are vital for pathogens.

Complete Genome Analysis of sp. PAMC28395: Genomic Insights into Its Potential Role for Cold Adaptation and Biotechnological Applications.

This study reports the complete genome sequence of sp. PAMC28395, a strain isolated from cryoconite in Uganda. This strain possesses several active carbohydrate-active enzyme (CAZyme) genes involved in glycogen and trehalose metabolism.

Complete Genome Sequence and Comparative Genome Analysis of sp. Strains PAMC28711, PAMC26660, and PAMC28562 and Trehalose Metabolic Pathways in Antarctica Isolates.

The complete genomes of strains were analyzed and compared along with the genomes of strains PAMC28711, PAMC28562, and PAMC26660, Antarctic isolates. The genomic information was collected from the NCBI database and the CAZyme database, and Prokka annotation was used to find the genes that encode for the trehalose metabolic pathway. Likewise, CAZyme annotation (dbCAN2 Meta server) was performed to predict the CAZyme family responsible for trehalose biosynthesis and degradation enzymes.

Crystal Structure and Biochemical Analysis of a Cytochrome P450 Steroid Hydroxylase (CYP106A6) from Species.

Cytochrome P450 (CYP) is a heme-containing enzyme that catalyzes hydroxylation reactions with various substrate molecules. Steroid hydroxylases are particularly useful for effectively introducing hydroxyl groups into a wide range of steroids in the pharmaceutical industry. This study reports a newly identified CYP steroid hydroxylase (CYP106A6) from the bacterium sp.

Complete genome of Nakamurella sp. PAMC28650: genomic insights into its environmental adaptation and biotechnological potential.

The mechanisms underlying the survival of bacteria in low temperature and high radiation are not yet fully understood. Nakamurella sp. PAMC28650 was isolated from a glacier of Rwenzori Mountain, Uganda, which species belonged to Nakamurella genus based on 16S rRNA phylogeny, ANI (average nucleotide identity), and BLAST Ring Image Generator (BRIG) analysis among Frankineae suborder.

HO-Driven Hydroxylation of Steroids Catalyzed by Cytochrome P450 CYP105D18: Exploration of the Substrate Access Channel.

CYP105D18 supports HO as an oxygen surrogate for catalysis well and shows high HO resistance capacity. We report the hydroxylation of different steroids using HO as a cosubstrate. Testosterone was regiospecifically hydroxylated to 2β-hydroxytestosterone.