Accelerating Anti-Obesity Breakthroughs: Protheragen's Precision Virtual Screening for Next-Generation Therapies

At Protheragen, our anti-obesity drug virtual screening service utilizes advanced virtual screening (VS) technologies to identify novel anti-obesity compounds that are both effective and exhibit minimal toxicity. By combining ligand-based and structure-based virtual screening (LBVS and SBVS) approaches, we sift through natural product-like chemical libraries to pinpoint bioactive compounds with therapeutic potential. In a recent study, these techniques led to the discovery of six compounds that demonstrate significant inhibitory effects on lipid accumulation in cell assays. Among these, one compound shows exceptional promise, not only reducing fat accumulation but also addressing obesity-related issues such as weight loss and fatty liver improvements in mouse models.

Fig.1 Schematic of virtual screening. (Cho, et al., 2020)

Our virtual screening approach targets critical receptors and enzymes involved in obesity regulation, ensuring a comprehensive search for effective therapeutic candidates.

By integrating virtual screening techniques with biological evaluation and in vivo testing, Protheragen offers a comprehensive platform for discovering and developing new anti-obesity therapies.

Workflow

This multi-stage process accelerates the identification of effective drug candidates with minimal side effects.

Target identification: Initial identification of relevant targets, such as PPARs, CB receptors, and serotonin receptors, based on their role in lipid metabolism and obesity.

Library selection and screening: Large-scale virtual screening using natural product-like libraries through Bayesian classification and 3D pharmacophore modeling to identify lead compounds.

Lead compound validation: Selected compounds are validated through in vitro assays and further refined using Biomarker Analysis to confirm their mechanism of action.

In Vivo testing: Promising candidates undergo animal studies to assess their effects on weight reduction, fat accumulation, and related metabolic conditions.

Applications

• Virtual screening allows Protheragen to efficiently filter through vast libraries of natural and synthetic compounds, identifying promising anti-obesity drug candidates much faster than traditional drug discovery methods.
• Using LBVS and SBVS, Protheragen can tailor its drug discovery approach based on specific obesity-related targets.
• Through the use of virtual screening, Protheragen can not only discover but also optimize potential drug candidates before moving into preclinical testing.

Advantages

• Virtual screening significantly reduces the time and financial resources required to identify viable drug candidates.
• Protheragen's virtual screening services allow for the exploration of diverse chemical libraries, including natural products and novel chemical entities.
• Virtual screening at Protheragen allows for the simultaneous targeting of multiple receptors and pathways related to obesity. This multi-targeted approach enhances the potential for more comprehensive and effective anti-obesity treatments, addressing both metabolic and behavioral aspects of the disease.

Our Services

Virtual screening enhances the speed of anti-obesity drug discovery. Protheragen provides essential services such as machine learning, gene screening, and pathway analysis to support these efforts. For more information, click the "Our Services" button above to explore our full range of offerings.

Frequently Asked Questions

What types of compounds can be screened in Protheragen's anti-obesity virtual screening?

Protheragen screens a wide variety of compounds, including:

• Natural product-like libraries for bioactive compounds with potential therapeutic effects.
• Synthetic chemical libraries for novel compounds.
• Drug-like molecules that are already optimized for pharmacological activity.

What is the next step after identifying a potential anti-obesity compound through virtual screening?

Once a compound is identified through virtual screening, it undergoes further validation through in vitro assays to assess its effect on fat metabolism, such as 3T3-L1 adipocyte differentiation assays. Promising candidates are then tested in vivo models, such as high-fat diet (HFD)-induced obese mice, to evaluate their effects on body weight, fat accumulation, and metabolic health.

Publication Data

At Protheragen, our anti-obesity drug virtual screening service combines cutting-edge computational technologies with a deep understanding of obesity biology to deliver fast, accurate, and cost-effective solutions for drug discovery and development. Please do not hesitate to contact us for more information!

All of our services and products are intended for preclinical research use only and cannot be used to diagnose, treat or manage patients.

• Computer-aided Anti-obesity Drug Analysis Service
• Computer-aided Anti-obesity Drug Design Service
• Computer-aided Anti-obesity Drug Molecular Docking Service