A5053082301- Microbial Metabolic Engineering and Bioproduction
- Biofuel production and bioconversion
- Enzyme Catalysis and Immobilization
- Computational Drug Discovery Methods
- Protein Structure and Dynamics
- biodegradable polymer synthesis and properties
- Advanced Cellulose Research Studies
- Chemical Synthesis and Analysis
- Bioinformatics and Genomic Networks
- Receptor Mechanisms and Signaling
- CRISPR and Genetic Engineering
- Microbial Natural Products and Biosynthesis
- Quinazolinone synthesis and applications
- Plant biochemistry and biosynthesis
- Biopolymer Synthesis and Applications
- FOXO transcription factor regulation
- Hippo pathway signaling and YAP/TAZ
- Polysaccharides Composition and Applications
- Plant-based Medicinal Research
- Synthesis and biological activity
- PARP inhibition in cancer therapy
- Bacteriophages and microbial interactions
- Microbial Inactivation Methods
- Microbial Metabolism and Applications
- Gene Regulatory Network Analysis
Korea Advanced Institute of Science and Technology
2017-2025
Korea Research Institute of Chemical Technology
2022-2024
Korea University of Science and Technology
2024
Chungnam National University
2013-2016
Significance Recent spread of SARS-CoV-2 has sparked significant health concerns emerging infectious viruses. Drug repurposing is a tangible strategy for developing antiviral agents within short period. In general, drug starts with virtual screening approved drugs employing docking simulations. However, the actual hit rate low, and most predicted compounds are false positives. To tackle challenges, we report advanced pre- postdocking pharmacophore filtering 6,218 COVID-19. Notably, 7 out 38...
Bacterial cellulose nanofiber (BCNF) with high thermal stability produced by an ecofriendly process has emerged as a promising solution to realize safe and sustainable materials in the large-scale battery. However, understanding of actual behavior BCNF full-cell battery been lacking, yield is still limited for commercialization. Here, we report entire production manufacture. We systematically constructed strain highest (31.5%) increasing metabolic flux improved safety introducing Lewis base...
Life cycle of bacterial cellulose. Sustainable production and consumption bio-based products are showcased using cellulose as an example.
Abstract Bacterial cellulose nanofiber (CNF) is a polymer with wide range of potential industrial applications. Several Komagataeibacter species, including xylinus as model organism, produce CNF. However, the application CNF has been hampered by inefficient production, necessitating metabolic engineering for enhanced production. Here, we present complete genome sequence and genome‐scale KxyMBEL1810 K. DSM 2325 Genome analysis this bacterium revealed that set genes associated biosynthesis...
Carminic acid is an aromatic polyketide found in scale insects (i.e., Dactylopius coccus) and a widely used natural red colorant. It has long been produced by the cumbersome farming of followed multistep purification processes. Thus, there much interest producing carminic fermentation engineered bacteria. Here we report complete biosynthesis from glucose Escherichia coli. We first optimized type II synthase machinery Photorhabdus luminescens, enabling high-level production flavokermesic upon...
Bio-based production of many chemicals is not yet possible due to the unknown biosynthetic pathways. Here, we report a strategy combining retrobiosynthesis and precursor selection step design pathways for multiple short-chain primary amines (SCPAs) that have wide range applications in chemical industries. Using direct precursors 15 target SCPAs determined by above strategy, Streptomyces viridifaciens vlmD encoding valine decarboxylase examined as proof-of-concept promiscuous enzyme both...
Acute oral toxicity of drug candidates can lead to development failure; thus, predicting the acute small compounds is important for successful development. However, evaluation considered in early stages discovery limited because cost and time. Here, we developed a computational framework, PredAOT, that predicts mice rats.PredAOT based on multiple random forest models accurate prediction toxicity. A total 6226 6238 evaluated rats, respectively, were used train models.PredAOT has advantage...
Abstract Retrobiosynthesis allows the designing of novel biosynthetic pathways for production chemicals and materials through metabolic engineering, but generates a large number reactions beyond experimental feasibility. Thus, an effective method that can reduce initially predicted enzymatic has been needed. Here, we present Deep learning‐based Reaction Feasibility Checker (DeepRFC) to classify feasibility given reaction with high performance speed. DeepRFC is designed receive Simplified...
Stability of compounds in the human plasma is crucial for maintaining sufficient systemic drug exposure and considered an essential factor early stages discovery development. The rapid degradation can result poor vivo efficacy. Currently, there are no open-source software programs predicting stability. In this study, we developed attention-based graph neural network, PredPS to predict stability using in-house datasets. outperformed two machine learning deep algorithms that were used...
NUAK family kinase 2 (NUAK2) is a promising target for cancer therapeutics due to its reported role in protein phosphorylation, critical process cell survival, proliferation, invasion, and senescence. This study aimed identify novel inhibitors that disrupt NUAK2 activity. We have already identified two KRICT Hippo inhibitor (KHKI) compounds, such as KHKI-01128 KHKI-01215. Our aim was evaluate the impact of KHKI-01215 on activity elucidate mechanism colorectal cells.
The Forkhead box protein M1 (FoxM1) is an appealing target for anti-cancer therapeutics as this cell proliferation-associated transcription factor overexpressed in most human cancers. FoxM1 involved tumor invasion, angiogenesis, and metastasis. To discover novel inhibitors that disrupt the FoxM1-DNA interaction, we identified CDI, a small molecule inhibits interaction. CDI was through assay based on time-resolved fluorescence energy transfer response of labeled consensus oligonucleotide...
Abstract Modeling protein structures is critical for understanding functions in various biological and biotechnological studies. Among representative structure modeling approaches, template‐based (TBM) by far the most reliable widely used approach to model structures. However, it still remains as a challenge select appropriate software programs pairwise alignments building, two major steps of TBM. In this paper, alignment methods TBM are first compared with respect quality models built using...
drug design aims to rationally discover novel and potent compounds while reducing experimental costs during the development stage. Despite numerous generative models that have been developed, few successful cases of utilizing reported. One most common challenges is designing are not synthesizable or realistic. Therefore, methods capable accurately assessing chemical structures proposed by for needed. In this study, we present AnoChem, a computational framework based on deep learning designed...