Questions tagged [drugs]
Drugs or pharmaceuticals are substances or combinations used to diagnose, cure, treat, or prevent disease.
185 questions
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How to tell that my Vehicle for Oral Suspension USP has been fully hydrated?
According to the preparation steps stated in USP 36, at the point where we are supposed to add the suspending agents into the aqueous solution, it writes
With constant mixing, slowly sprinkle the ...
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What free tools can calculate or visualize 3D, spatial electron density distribution surface map for molecules from MD trajectories?
Thank you for reading my question. I'm a biologist who's been recently migrating to drug design. I would like to study the electron density (ED) distribution in 3D space on the surface of drug ...
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Why do some liquid pharmaceutical suspensions require shaking while others don't?
I'm wondering what makes liquid suspension of drugs sometimes needing to be shaken up and other times not?
For example, I have had drugs in the past that have needed it and others not; and I am asking,...
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Can Orca simulate NIR spectra of pharmaceutical excepients?
I am a data scientist who is working on NIR data. As part of my project I need to compare theoretical NIR spectra with experimental spectra. I have only high school level background in chemistry and I ...
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Why is hyclate only associated with doxycycline?
Hyclate (hydrochloride hemiethanolate hemihydrate) formulation is only associated with the antibiotic doxycycline.
I asked my question from Copilot and this is its answer:
Other drugs may not use the ...
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Drug dosage determination using dynamical systems
I am a Mathematical Biology student, and recently I have read about various approaches, such as Ordinary Differential Equations (ODEs), used to determine the exact drug dosage and treatment sessions ...
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Anthracycline vs Angucycline
Anthracyclines and angucyclines both have a tetracyclic core. Now, I need to classify urdamycinone B, fridamycin A, fridamycin G, and dehydroxyaquayamycin as anthracycline or angucycline. Both ...
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Can glycerol slow down the kinetics of an inhibitor going to a binding pocket of a target enzyme?
I am currently doing enzymatic inhibition assays and in my current setup I observe that a commercial inhibitor is showing inhibition as expected. Still, the inhibition is not as strong as the ...
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Acidity of metronidazole
Metronidazole has two $\mathrm{p}K_\mathrm{a}$ values: $2.57$ and $15.42.$ The basic group is the imidazole moiety. Does metronidazole have acidic groups?
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Solubility of amlodipine besylate
In European Pharmacopoeia, the drug amlodipine besylate is characterised as slightly soluble in water and freely soluble in methanol (additionally, sparingly soluble in anhydrous ethanol and slightly ...
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Reduction of benzylic alcohol and halide using H2 and Pd
I am studying drug synthesis, and I found some examples that uses $\ce{H_2}$ and Pd/C or Pd/$\ce{BaSO_4}$ as catalytic hydrogenation reagents for reduction of alcohol or halide in benzylic position. ...
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Medicinal chemistry: adding substituents to increase/decrease activity
In medicinal chemistry, it is possible that adding 2 different substituents does not increase the activity of the drug much when added separately, but when added together, the activity is increased a ...
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Why having a carbonyl group is not contributing to binding energy
I am carrying out a virtual screening project for a protein receptor to identify possible ligands (small molecules). After the virtual screening, molecular dynamics, and MMGBSA calculation, I ...
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LC-MS/MS analysis of rosuvastatin in rat plasma two peaks
I am trying to analyse samples of Rosuvastatin in rat plasma using LC-MS/MS and ran into the problem that I get two peaks for Rosuvastatin, one after a retention time of around 7 mins and one around ...
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pH and degree of dissociation of drugs
I have a doubt, i hope not so stupid.
Suppose we consider a buffer solution of acetic acid/acetate at pH = pKa = 4.76 and we add aspirin (pKa = 3.5): given that the pH of the solution is higher than ...
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