X-ray crystallography based characterisation of samples currently have became the favoured method for both definitive sample identification and drug discovery process. A three dimensional structure could be obtained by the technique which provides information in molecular identity, conformation, and packing. Structure-based drug design has proven to be effective in all aspects of drug discovery and development. It provides the chance to see the specific interactions of your compounds with the target you are working with. Based on the information viewed and analyzed, chemists may move forward with more confidence in optimizing their leads.
BOC Sciences’ X-ray crystallography service utilizes its experiences and proprietary technology to assist clients in employing X-ray crystallography characterisation in their drug discovery. Our services include crystallization screening, X-ray crystallography and structure determination. In particular, BOC Sciences is expertise in co-crystallization of protein with small molecule. Please contact us for the discussion and counseling of your project.
Crystallization of target and data collection
BOC Sciences has experience in analyzing a wide range of crystal compounds from small organic molecular to heavy metal complexes and also air-sensitive materials.
We offer the service of collecting a complete X-ray diffraction data set on crystals based on the method of slow evaporation and cooling, vapor and liquid diffusion,sitting or hanging drop, sublimation and Co-crystallants. You are welcome to send us your crystal compounds. Or, our researchers with a high level of expertise in single crystal growth techniques could do the crystallization for your compounds. The physical and chemical properties of the material will be examined to determine the crystallization techniques. This will help our clients to obtain a complete data suitable for space group characterization and possible molecular structure determination. This service may take 4 to 20 hr depending on the crystal characteristics (size, symmetry or signal-to-noise).
apo-Crystal structure determination
Different solid forms can display significantly different physical and chemical properties, including color, morphology, stability, dissolution, powder flow, tableting behaviour and bioavailability. So it is important to know whether your API or drug substance is a single form or multiple solid forms. The way to determine is characterization. BOC Sciences provides a wide variety of solid-state techniques to help our clients know the comprehensive picture of the material. X-Ray diffraction is the most powerful technique for elucidating molecular and solid state structures. X-ray diffraction data are collected using our state of art in-house X-ray generator and are processed by our specialists for structural determination. Our scientists will try their best to prepare the best quality sample in purity, activity and stability for crystallization study. Our services including, routine physical characterization, computational polymorph prediction, identification of crystalline phases, investigation of salt disproportionation and thermodynamic stability mapping of different polymorphs etc.
Protein Drug complex structure determination
Determination of the 3D structure of protein−ligand complexes using X-ray crystallography is quickly becoming an important tool for drug discovery. BOC Sciences has techniques in obtaining co-crystal structures in complex with ligands via co-crystallization or soaking method. Finding a compound in the co-structure not only depends on its affinity, but also on its solubility, specific interaction, and location of the binding site. Our experience in this field will enable the best chance at finding your compound in the co-crystal structure. We offer co-crystal structure services for hard-to-reach projects including tough protein targets, membrane protein targets and weak binders.
Location and refinement of our clients compounds is another crucial step of a co-crystal structure. BOC Sciences will provide the highest quality co-crystal structure. The electron density map of the ligand in a complex structure will be well refined in order to precisely determine the position of all atoms.
Feel free to contact us for a consultation and proposal for your project.