Fungicides-Like Library

Fungal pathogens are an important group of microorganisms that cause huge economic losses in agriculture around the world. Fungicides are a kind of compounds used to kill fungi or fungal spores, and play critical roles in the management of plant disease. There is a wide range of fungicide classes, from multi-site inorganic salts to organic compounds with protectant effects and then to single-site systemic fungicides with therapeutic activity. Technologies such as combinatorial chemistry, high-throughput screening and bio-rational screening design have led to the advance of synthesis and development of fungicides-like libraries.

BOC Sciences has developed a fungicides-like library to promote the discovery and development of novel fungicides.

Figure 1. Targeted search of cryptic natural product biosynthetic pathways leads to a new herbicide lead with novel mode of action. (Yan, Y.; et al. 2018)

Fungicides-Like Library Design

BOC Sciences has introduced cross-modeling methods that include Bayesian and pharmacological approaches to design this unique screening library, providing a good basis for fungicide discovery projects

1. Firstly, we collect the compounds with the highest scores selected from pharmacophore modeling, and compare them with top-scored compounds obtained from Bayesian modeling
2. Then, a four-point pharmacophore model with excluded volumes is developed, optimized, validated, and screened against our screening set
3. The obtained results will be rescored using two special rescoring functions: the first one is developed based on pharmacophore feature weights and the second one is designed based on molecular descriptors (QSAR)
4. Bayesian models are constructed for the same known fungicides based on various fingerprints and different molecular descriptors
5. Finally, the compounds with the highest scores are selected and visual analysis will be included in our library

Fungicides-Like Library Characteristics

• No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
• All compounds are continually updated
• Compound cherry-picking service is provided

What We Deliver

• Delivered within 2 weeks in any customer-preferred format
• Powders, dry films or DMSO solutions formatted in vials, 96 or 384-well plates
• All compounds have a minimum purity of 90% assessed by ¹H NMR and HPLC
• Analytical data is provided

BOC Sciences provides professional, rapid and high-quality services of Fungicides-Like Library design at competitive prices for global customers. Personalized and customized services of Fungicides-Like Library design can satisfy any innovative scientific study demands. Our clients have direct access to our staff and prompt feedback to their inquiries. If you are interested in our services, please contact us immediately!