A panorama to mine “bioactive X” against progressive deterioration of liver disease: from NAFLD to HCC DOI Creative Commons
Ki‐Kwang Oh, Sang Jun Yoon,

Jung-A Eom

et al.

Research Square (Research Square), Journal Year: 2023, Volume and Issue: unknown

Published: Nov. 8, 2023

Abstract Non-alcoholic fatty liver disease (NAFLD) is implicated in steatohepatitis (NASH), cirrhosis (LC) to hepatocellular carcinoma (HCC), sequentially. Herein, our aim was unravel the nuanced key components (compounds, and targets) deter progressive severity concerning diseases. We incorporated rigor bioinformatics computational screening tools decode effector(s) against NAFLD, NASH, LC, HCC. The targets of four hepatic-diseases were browsed by DisGeNET OMIM, then, intersecting identified Venn diagram. Protein-protein interaction (PPI) networks constructed on STRING database with aid R program. uppermost target(s) HCC filtered degree centrality (DC), betweenness (BC) value. utilized Selleckchem (compound repository website) retrieve ligand(s) for target(s), hereby, confirmed affinity via molecular docking test (MDT), density functional theory (DFT), toxicity prediction. final (295) core PPI comprised 26 nodes, 248 edges two (INS, IL6) highest 30% (BC). corresponding ligands PDX1 (transcription factor INS; one agonist), IL6 (thirty-two antagonists) Selleckchem. Molecular (MDT) revealed that PDX1- BRD7552 conformer (-12.1 kcal/mol), IL6- Forsythoside B (-11.4 kcal/mol) formed most stable complex. In parallel, DFT proposed BRD7552, had significant chemical properties react targets, respectively. conclusion, we decoded causatives web-based drug repositioning theory. as agonist, antagonist attributed synergistic efficacy NAFLD-derived

Language: Английский

Beyond In Vivo, Pharmaceutical Molecule Production in Cell-Free Systems and the Use of Noncanonical Amino Acids Therein DOI Creative Commons
Marco G. Casteleijn,

Ulrike Abendroth,

Anne Zemella

et al.

Chemical Reviews, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 22, 2025

Throughout history, we have looked to nature discover and copy pharmaceutical solutions prevent heal diseases. Due the advances in metabolic engineering production of proteins different host cells, moved from mimicking delicate cells proteins. We can now produce novel drug molecules, which are fusions small chemical drugs Currently at brink yet another step venture beyond nature's border with use unnatural amino acids manufacturing without living using cell-free systems. In this review, summarize progress limitations last decades development protein development, also discuss possible future directions field.

Language: Английский

Citations

2

Stabilization challenges and aggregation in protein-based therapeutics in the pharmaceutical industry DOI Creative Commons
Mahdie Rahban, Faizan Ahmad, Mieczyslaw A. Piatyszek

et al.

RSC Advances, Journal Year: 2023, Volume and Issue: 13(51), P. 35947 - 35963

Published: Jan. 1, 2023

Protein-based therapeutics have revolutionized the pharmaceutical industry and become vital components in development of future therapeutics. They offer several advantages over traditional small molecule drugs, including high affinity, potency specificity, while demonstrating low toxicity minimal adverse effects. However, manufacturing processes protein-based presents challenges related to protein folding, purification, stability immunogenicity that should be addressed. These proteins, like other biological molecules, are prone chemical physical instabilities. The drugs throughout entire manufacturing, storage delivery process is essential. occurrence structural instability resulting from misfolding, unfolding, modifications, as well aggregation, poses a significant risk efficacy these overshadowing their promising attributes. Gaining insight into alterations caused by aggregation impact on for advancement refinement Hence, this review, we discussed some features during production, formulation stabilization strategies engineering computational methods prevent aggregation.

Language: Английский

Citations

36

Therapeutic proteins: developments, progress, challenges, and future perspectives DOI
Vimal Kumar,

Arti Barwal,

Nitin Sharma

et al.

3 Biotech, Journal Year: 2024, Volume and Issue: 14(4)

Published: March 18, 2024

Language: Английский

Citations

12

Revolutionizing Molecular Design for Innovative Therapeutic Applications through Artificial Intelligence DOI Creative Commons

Ahrum Son,

Jongham Park, Woojin Kim

et al.

Molecules, Journal Year: 2024, Volume and Issue: 29(19), P. 4626 - 4626

Published: Sept. 29, 2024

The field of computational protein engineering has been transformed by recent advancements in machine learning, artificial intelligence, and molecular modeling, enabling the design proteins with unprecedented precision functionality. Computational methods now play a crucial role enhancing stability, activity, specificity for diverse applications biotechnology medicine. Techniques such as deep reinforcement transfer learning have dramatically improved structure prediction, optimization binding affinities, enzyme design. These innovations streamlined process allowing rapid generation targeted libraries, reducing experimental sampling, rational tailored properties. Furthermore, integration approaches high-throughput techniques facilitated development multifunctional novel therapeutics. However, challenges remain bridging gap between predictions validation addressing ethical concerns related to AI-driven This review provides comprehensive overview current state future directions engineering, emphasizing their transformative potential creating next-generation biologics advancing synthetic biology.

Language: Английский

Citations

6

Revolutionizing Synthetic Antibody Design: Harnessing Artificial Intelligence and Deep Sequencing Big Data for Unprecedented Advances DOI
Eugenio Gallo

Molecular Biotechnology, Journal Year: 2024, Volume and Issue: unknown

Published: Feb. 3, 2024

Language: Английский

Citations

4

Design of a thermal stress microfluidic platform to screen stability of therapeutic proteins in pharmaceutical formulations DOI Creative Commons

O. Bortone,

Shane A. Fiorenza, Massimiliano Baldassarre

et al.

Current Research in Biotechnology, Journal Year: 2025, Volume and Issue: unknown, P. 100273 - 100273

Published: Jan. 1, 2025

Language: Английский

Citations

0

Modulating the complement system through epitope-specific inhibition by complement C3 inhibitors DOI Creative Commons
Zhidong Chen,

M. Wang,

Wenqian Duan

et al.

Journal of Biological Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 108250 - 108250

Published: Jan. 1, 2025

Language: Английский

Citations

0

Modern Approaches to Protein Constructions: A Comprehensive Review of Computational Tools and Databases for De Novo Protein Design and Engineering DOI Creative Commons

Md. Mojnu Mia,

Habiba Sultana, Md. Al Amin

et al.

Engineering Reports, Journal Year: 2025, Volume and Issue: 7(2)

Published: Feb. 1, 2025

ABSTRACT The field of protein engineering has witnessed transformative advancements, with computational tools and databases driving novel innovations in de novo design. This review consolidates critiques a comprehensive range modern resources, offering unique focus on their applications across diverse domains, including stability prediction, posttranslational modification analysis, mutation effect evaluation. Key contributions include detailed examination integrating machine learning artificial intelligence to enhance predictive accuracy streamline workflows. By highlighting underexplored methodologies, such as advanced protein–ligand interaction predictors neural network–based assessment models, this study establishes itself reference for researchers aiming develop tailored proteins therapeutic, industrial, biomedical applications.

Language: Английский

Citations

0

Advancing Alzheimer's Therapy: Computational Strategies and Treatment Innovations DOI Creative Commons
Jibon Kumar Paul,

Abbeha Malik,

Mahir Azmal

et al.

IBRO Neuroscience Reports, Journal Year: 2025, Volume and Issue: 18, P. 270 - 282

Published: Feb. 4, 2025

Alzheimer's disease (AD) is a multifaceted neurodegenerative condition distinguished by the occurrence of memory impairment, cognitive deterioration, and neuronal impairment. Despite extensive research efforts, conventional treatment strategies primarily focus on symptom management, highlighting need for innovative therapeutic approaches. This review explores challenges AD integration computational methodologies to advance interventions. A comprehensive analysis recent literature was conducted elucidate broad scope etiology limitations drug discovery Our findings underscore critical role models in elucidating mechanisms, identifying targets, expediting discovery. Through simulations, researchers can predict efficacy, optimize lead compounds, facilitate personalized medicine Moreover, machine learning algorithms enhance early diagnosis enable precision analyzing multi-modal datasets. Case studies highlight application techniques therapeutics, including suppression crucial proteins implicated progression repurposing existing drugs management. Computational interplay between oxidative stress neurodegeneration, offering insights into potential Collaborative efforts biologists, pharmacologists, clinicians are essential translate clinically actionable interventions, ultimately improving patient outcomes addressing unmet medical needs individuals affected AD. Overall, integrating represents promising paradigm shift solutions overcome transform landscape treatment.

Language: Английский

Citations

0

The assembled decoders to prepare for “bioactive X” against progressive deterioration of liver disease: from NAFLD to HCC DOI
Ki‐Kwang Oh, Sang Jun Yoon,

Jung-A Eom

et al.

European Journal of Medicinal Chemistry, Journal Year: 2025, Volume and Issue: 288, P. 117385 - 117385

Published: Feb. 15, 2025

Language: Английский

Citations

0