Agrochemicals usually refers to a wide variety of pesticides, including insecticides, herbicides, fungicides and nematicides. It can also refer to synthetic fertilizers, hormones and other chemical growth agents.
BOC Sciences AgroChemical Screening Library can be used to screen in HTS in vivo against many weed, insect and fungal model organisms, resulting in the discovery of a range of novel herbicidally active compounds.
Figure 1. Current Challenges and Trends in the Discovery of Agrochemicals. (Lamberth, C.; et al. 2013)
Our Strategies
a. Firstly, we apply the following restrictions to the BOC Sciences HTS compounds collections
Table1. The summary of the BOC Sciences AgroChemical screening library characteristics
| Parameter | Value |
| MW | 250-500 |
| Number of Rotatable Bonds | ≤11 |
| Number of H Donors | ≤2 |
| Number of H Acceptors | ≤10 |
| CLogP | 0.3-4.5 |
b. The compounds are then filtered by 2D fingerprint similarity search against a reference set of known agrochemical compounds
c. Finally, a substructure search is applied. Sub-structure cores of each class of known agrochemical compounds are selected from relevant online databases
AgroChemical Screening Library Design
BOC Sciences has developed various libraries of agrochemical-like molecules for different agrochemical discovery programs:
Nicotinic acetylcholine receptor (nAChR) is a neurotransmitter-regulated ion channel complex responsible for fast synaptic transmission. nAChR therefore plays an important role in the central nervous system of insects. We have developed a reliable nAChR targeted Library containing hundreds of nAChR targeted for the action of insecticides.
Fungal pathogens are a type of microorganisms that have caused great economic damage to agriculture around the world. Fungicides are compounds used to kill fungi or fungal spores. BOC Sciences is committed to providing special screening libraries containing a variety of predicted fungicides.
Insecticides are chemicals used to kill insects, and the vast majority of pesticides have the potential to significantly alter ecosystems. Many of them are toxic to humans, some concentrated along the food chain. Our expert teams design and synthesize libraries of pesticide-like compounds to assist in the development of new effective pesticides.
Weed control plays an important role in agriculture. In order to control these plants that can cause a lot of damage to crops, a large number of herbicides have been designed and produced to remove these unwanted weeds. Considering the existence of resistance in plants and the negative impact of some herbicides on the environment, BOC Sciences is capable of generating new herbicide libraries with a goal of developing new herbicides.
AgroChemical Screening Library Characteristics
- No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
- Bioactivity and safety confirmed by preclinical studies and clinical trials
- Structural diversity, medicinal activity, and cellular penetration
- Structural document, IC50, and other chemical and biological data are provided
- All compounds are continually updated
- All of these compounds with Tanimoto index ≥ 0.80
- 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 AgroChemical Screening Library design at competitive prices for global customers. Personalized and customized services of AgroChemical Screening 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!
Reference
- Lamberth, C.; et al. Current Challenges and Trends in the Discovery of Agrochemicals. Science. 2013. 341: 6147.
