Use the accelrys draw package
Drug structure:Use the Accelrys Draw package (available on the university network) to obtain a pictorial representation of your drug and copy this into the box below. Follow instructions in the guidance document.
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Use the Accelrys Draw package (available on the university network) to obtain a pictorial representation of your drug and copy this into the box below. Follow instructions in the guidance document.
Structural Alerts for Potential Toxicity: Following the instructions in the guidance document, screen your drug against all alerts available within the oCHEM software.
A drug that inhibits the activity of key metabolising enzymes can potentially cause significant problems. For example enzyme inhibition may lead to higher than expected levels of a parent drug persisting in the body if the drug is co-administered
– Use the WSKOW package (follow instructions in guidance document) to obtain a predicted logarithm of the aqueous solubility (log S) for your drug. If it is available record the measured / experimental log S.
Consider, for example, conducting a microbiological assay where inhibition of growth of bacteria is determined when different concentrations of drugs are applied.
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