Questions tagged [medicinal-chemistry]
Medicinal chemistry is the process of design, synthesis, and testing of molecules (drugs) for the treatment of infection and disease. The medicinal-chemistry tag should be applied to all questions relating to this process, from the theoretical aspects of drug design (screening, computational studies, synthesis planning) to the practical aspects of the actual synthesis, characterisation and testing of the molecule.
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Oncotic pressure and saline solution
I have read that if the oncotic pressure and the hydrostatic pressure aren't equal, either filtration or resorption happens.
I would like to know, why the effect of inorganic salts is not brought into ...
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Are trazodone and risperidone chemically related?
I am not a chemist and I didn't find any data on this at all but from a look over the two dimensional diagrams of the two molecules trazodone and risperidone I see a bit of resembelence, especially in ...
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Rule for which heterocycles are stable?
In medicinal chemistry, is there a rule for which aromatic heterocycles are stable?
I've heard that heterocycles with 3+ adjacent nitrogens for example are unstable. However looking in ChEMBL at 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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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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Integration of Artificial Intelligence in Chemistry [closed]
How is Artificial Intelligence impacting the design and discovery of new compounds and medications?
Given the rapid advancements in artificial intelligence and machine learning methodologies over the ...
user137106
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How can I make a polyurethane formulae more adhesive?
For a project I'm working on, how can I make polyurethane more adhesive and able to stick to surfaces more effectively, not necessarily super-glue like but just stickier properties. What other ...
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Why is guanine sometimes referred to as "Acyclovir Impurity B"?
"Acyclovir Impurity B" is the name for guanine used by a handful of relatively low-traffic websites. Googling the term shows this. It is nearly always with a capital letter at the beginning ...
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synthetic procedure for 1,3,4 thiadiazole from acylhydrazide [closed]
I wanted to synthesize 1,3,4 thiadiazole-2- thiol substituted to benzoic acid the reaction has to happen in such a way that the "acid hydrazide" group of benzoic acid hydrazide has to ...
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How are non-racemic drugs produced?
In many cases the L- or S- stereoisomer of organic compounds is vastly more bioactive than other enantiomers. So we see pharmaceutical companies producing escitalopram (i.e., S-citalopram), ...
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How to make a paste out of vinegar?
I am trying to make a smooth vinegar cream for short term use of up to about 3 months (i.e. no preservatives are needed if stored in a cool place).
Vinegars such as apple cider vinegar or pure acetic ...
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Ritalin/Concerta/Methylphenidate is an amphetamine?
FIDE (the governing body of international chess competition) says here:
The most relevant banned substances for chess are:
• Amphetamines – e.g. Adderall, Ritalin
(...)
Image:
I think either ...
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Selective secondary amide/lactam hydrolysis
I am working on a synthesis for a compound (4-aminophenol with alkyl chain and lactam at carbon 2). The final step of the synthesis involves hydroylsis of the secondary amide at carbon 4. My problem ...
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What are the physicochemical properties related to medical drugs in the PubChem database?
I am not a chemist, in fact, I come from a computer science background. However, I am involved in a project related to artificial intelligence-based drug discovery. For this, I am trying to make a ...
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