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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questions
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47 views
Can bis-quaternary aromatic compounds act directly on acetylcholine receptors?
The book Cholinesterases and Anticholinesterase Agents gives examples of bis-quaternary aromatic compounds that are capable of inhibiting acetylcholinesterase. Page 400 gives examples of some such ...
2
votes
0answers
38 views
Why does sodium citrate in water turn black when blueberries are added?
I recently started making oral rehydration therapy for someone I'm taking care of who developed POTS after COVID-19 infection. (ORT was recommended by their doctor.) I use the standard ingredients of ...
2
votes
0answers
38 views
Why is chlorpromazine not characterized as tricyclic? [closed]
Chlorpromazine is an old ("typical") anti-psychotic medication with a chemical structure which I as a non chemist find almost identical to that of all "ine" tricyclic anti ...
2
votes
0answers
35 views
Bioisosteric replacement using SMARTS (KNIME and RDKit)
I am trying to create a KNIME workflow that would accept a list of compounds and carry out bioisosteric replacements (we will use the following example here: carboxylic acid to tetrazole) ...
2
votes
0answers
45 views
On drug-like criteria and QM9 dataset
According to the book Machine Learning Meets Quantum Physics
QM9 is built up from $\sim 134 \mathrm{k}$ drug-like molecules with up
to nine heavy atoms (C, N, O, or F).
I'm assuming that drug-like ...
3
votes
0answers
26 views
Why does high blood gas partition coefficient of a inhalational anaesthetic drug mean slower induction of anesthesia?
High blood gas partition coefficient of a drug corresponds to higher solubility of the drug in blood leading to high concentration of the drug in blood with respect to gas (air in alveoli). If the ...
-1
votes
2answers
847 views
Antibacterial properties of Ethanol and Isopropanol [closed]
Ethyl alcohol is widely used in beverages, while isopropyl alcohol is commonly sold as an antiseptic. However, some use both ethyl alcohol and isopropyl alcohol as antibacterial protection.
I am ...
1
vote
0answers
125 views
Is levomenthol superior to Menthol as a pain killer in humans and what are the ways to determine this?
I desire to learn whether levomenthol is superior to Menthol as a pain killer in humans.
I didn't find a wiki article about levomenthol and the article Menthol doesn't mention this molecule.
The ...
1
vote
0answers
27 views
chitosan question [closed]
when chitosan is coated on the surface of iron oxide nanoparticles, are the amine groups of the chitosan pointed out?
4
votes
2answers
165 views
Why are drugs mixed with their sodium salts?
I have come across quite a few drugs that are of the form $\ce{HA + NaA}$, where $\ce{A}$ is your target organic compound. A few examples of this are:
Carmicide which is a mixture of Sodium Citrate ...
1
vote
2answers
58 views
Is a liquid vitamin E supplement possible without additives? [closed]
Looking at E vitamin products sold commercially, all āpure vitamin E oilā products seem to be for skincare rather than consumption as a supplement.
I have read that d-alpha tocopherol is the form of ...
2
votes
0answers
84 views
Calculating the solubility of aspirin in water
I am trying to investigate the relationship between the solubility of aspirin in water with the relationship to some variables. In my investigation, I seem to be stuck with the calculation of finding ...
0
votes
1answer
68 views
What is the maximum amount of medicine that could accumulate in the body if the compound has a half-life of 24 hours? [closed]
If a patient is prescribed 25 mg per day of a compound that has a half-life of roughly 24 hours, what is the maximum accumulated amount of the medicine that would build in the patients body?
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0answers
68 views
How did the tablet become like this?
How did the tablet become like this?
There was a gap in the packet, so I'm guessing it reacted with moisture but is it so?
Edit: Composition of 'Tendocare'- Chondroitin Sulfate and Vitamin C ...
0
votes
3answers
125 views
Strontium-89 vs strontium-90
Why is radioactive strontium-89 is considered medically useful for bones (along with other benefits) whereas strontium-90 (also being radioactive) is harmful for human body?
How does the addition of ...
4
votes
1answer
135 views
Why is barium used instead of bismuth as a contrast in gastrointestinal xrays?
Why is barium used instead of bismuth as a contrast in gastrointestinal x-rays? Bismuth is a heavy metal that has a relatively low toxicity in comparison to barium. Is there a particular property of ...
-1
votes
1answer
51 views
Separation of sugar and fat in a column chromatography [closed]
I am chemist at organic and bioorganic chemistry,I want to know if we are separating sugar and fat in a column chromatography who will be down first ? and why ?
Thank you.
-1
votes
1answer
36 views
Which of these chemicals share a likeness in structure with benzodiazepines causing false-positives in urine tests? [closed]
Below are potential culprits:
Quetiapine, Oxcarbazepine, and Valproate feature in the current medicine regime.
Olanzapine was discontinued quite recently.
Quetiapine XR (increased to 400mg) and an ...
-1
votes
1answer
32 views
14
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1answer
8k views
How to count free rotatable bonds
I am having difficulties to count the number of free rotating bonds for the Lipinski and Veber rules. What are the rules in doing so?
In Vemurafenib (shown above), which bonds are considered ...
2
votes
1answer
95 views
Tip of my tongue: what is the name of this process?
I remember back in Chemistry class, we did this thing where we would drop some liquid into a solvent. The moment it touched the solvent, it would turn into a gel sphere with the solvent inside it, and ...
9
votes
1answer
264 views
Why is there a comparative lack of variety in positive counterions in drugs?
Pharmaceutical salts are important in the process of drug development. Using different chemical species to neutralise the parent drug can produce a diverse series of compounds, and this process is ...
2
votes
2answers
834 views
NaHCO3 required to raise pH of weak HCl solution from 3.5 to 7.2 (doubting my calculations)
I'm a dentist, working on a medical device that will make shots at the dentist office hurt a lot less. The device mixes a drug (2% Lidocaine) that has been acidified with $\ce{HCl}$ to pH 3.5 for ...
2
votes
0answers
797 views
How do you remove residual Lawesson's reagent after thionation?
I am currently synthesizing a peptidomimetic bioisostere that replaces an oxygen with a sulfur. I use lawesson's reagent to achieve this, and althought the reaction works and despite running it ...
5
votes
0answers
40 views
Cytotoxicity of Ru-complexes
I have a basic question: why are Ru(II)-complexes cytotoxic?
What I know is that depending on the used ligand some of them interact with the DNA either via DNA-pi-stacking (intercalation) or binding ...
1
vote
0answers
59 views
How to find all published Pharmacophore Structure of a Drug target?
Other than literature review how do you find the structures of Pharmacophore of a drug target? I am searching Pyruvate Dehydrogenase Kinase (PDK) inhibitors and I have reviewed lots of literature but ...
13
votes
1answer
196 views
Trustworthiness of IC50 values
My two questions: Is replication of recording $\text{IC}_{50}$ values prior to (primary?) publication less common than performing a reaction several times to determine a more reliable record? Provided ...
-2
votes
1answer
635 views
Does chlorine in tap water usually contain traces of cornstarch (or its derivatives)? [closed]
My online research has been challenging to separate out the corn starch or corn Derivatives that are obviously in chlorine weather in tap water or pools. There is medical support backing it but I ...
2
votes
1answer
594 views
What concentration of small molecule binding is considered weak or strong?
In the chemistry literature, I often see a stated concentration (nanomolar, micromolar, millimolar) followed by qualitative judgment on the potency of the small molecule for protein inhibition. What ...
4
votes
0answers
885 views
Reasoning for baking soda treating poison ivy rashes
A quick Google search will show that baking soda (sodium bicarbonate) mixed with water in a 3 to 1 ratio will make a paste to be applied on poison ivy rashes. This is commonly advertised as a home ...
2
votes
3answers
6k views
Determine from pKa if acid or base
I'm studying medicine, not chemistry, but I hope you can help me anyway.
I just had to solve a question where it is given that the drug Propranolol has a $\text{p}K_{\text{a}}$ of 9.5 and the un-...
1
vote
1answer
210 views
What is the significance of Sphingolipids in human?
I want to know the significance of sphingolipids in human. I have learnt that sphingomyelin is the most significant type of sphingolipid in human. Also that the sphingomyelin serves as a structural ...
3
votes
3answers
1k views
Betaine HCl stomach pH
It seems betaine HCl is often recommended for those suffering from "low stomach acid" -- which, as I understand, is having too high stomach pH for proper digestion (especially for proteolysis via ...
1
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0answers
25 views
For Penicillin Binding proteins, why is the Enzyme-peptide complex less stable than an enzyme-Ī²-lactam complex?
I'm trying to figure this out. I cannot find any publications that go into good detail about the chemistry of PBP inhibition by Ī²-lactam antibiotics.
PBPs cross-link adjacent pentapeptides to form ...
2
votes
1answer
539 views
In the graph provided, which of the substances is the most efficient in acting as an antacid?
If every dot represents the addition of 0.1 g of the respective base. I suppose that the best would be the one that reaches the highest pH, in the shortest time, for example Calcium Carbonate, but if ...
0
votes
1answer
7k views
What kind of materials are plastic syringes made from?
I'm trying to figure out what kind of materials my disposable plastic syringe is made from. I have a Medefil MIS-1130 syringe and when I visited the company website I couldn't find any information on ...
4
votes
1answer
924 views
General Alkaloid Extraction Process
I'm getting into alkaloid extraction from various ethnobotanicals. It is a bit frustrating trying to extract alkaloids from ethnobotanicals without good guides out there, and I wanted to make my own ...
0
votes
1answer
46 views
Different names for Fidaxomicin (OPT-80)?
Is OPT in OPT-80 an abbreviation? If so, what is the full name?
1
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0answers
618 views
Why is Fmoc base-labile and Moz acid-labile?
I'm learning about the Zuckermann approach to combinatorial chemistry in my MedChem lecture. My textbook claims that the Fmoc protecting group is base-labile while the Moz protecting groups is acid-...
5
votes
2answers
7k views
Why do halogen substituents make molecules more lipophilic?
According to my medicinal chemistry text book, halogens increase a drugās lipophilicty. This makes no sense to me for two reasons:
Halogens are all quite electronegative and they will form a $\ce{C-X}...
1
vote
2answers
166 views
Extracting herbs with grape juice
I tried searching my question on google and did not find anything. I am looking to extract herbs with pure 100%
grape juice http://www.lakewoodjuices.com/product_detail/id-32/ ( it is pasteurized ) ...
2
votes
1answer
131 views
XlogP of octanol and water itself
According to Pubchem, the XLogP of octanol is 3 and that of water is -0.5. Why aren't they both 0 or 1 which seems to make more sense to me?
2
votes
1answer
982 views
Classical bioisosteres
Classical bioisosteres are functional groups that satisfy with the Grimm's hydride displacement law and Langmuir's definition of isosteres.
My question is why chlorine can be replaced by ...
10
votes
2answers
4k views
Is ciprofloxacin acidic or basic?
I would expect an aqueous solution of ciprofloxacin to be basic for the following reasons:
The carboxyl group has pKa = 6.09 and the secondary amino group has pKa = 8.74. Because 8.74 is further from ...
2
votes
0answers
2k views
Shape of the blood CO2 dissociation curve
What equation determines the shape of the blood $\ce{CO2}$ dissociation curve? I know that since it factors all possible forms of $\ce{CO2}$ carriage, there are a bunch of factors (e.g. Henry's law, ...
7
votes
1answer
76 views
Arterial blood CO2 content, division and partial pressure
My lecturer cites Boron and Boulpaep's Medical Physiology (2nd edition) for the following claims:
the total $\ce{CO2}$ content of arterial blood is $26.4$ mmol/L or $48\%$ v/v (not sure if these ...
10
votes
1answer
607 views
Is lithium L-threonate a potential brain medicine?
Lithium ions have known neuroprotective qualities. That would explain its therapeutic benefit in some mental disorders. It is also well known that lithium carbonate must be taken in toxic doses to get ...
0
votes
2answers
2k views
What's the difference between pharmacotherapy and chemotherapy
Is it fair to say that pharmacotherapy (the use of pharmaceuticals to treat disease) is a subset of chemotherapy (the use of chemicals to treat disease)?
If not, why? Aside from the fact the former ...
2
votes
0answers
265 views
Why are trifluoromethyl diazirines so stable?
Why are trifluoromethyl diazirines so stable?
Trifluoromethyl diazirines stability is well documented, however I am yet to find an explanation of why...
Can it be homoaromatic or even aromatic?
2 pie ...
4
votes
3answers
5k views
How do water insoluble medications get absorbed in the blood stream?
If a chemical is ingested (supplement or drug) orally, which is insoluble in water, how can it be absorbed into the body? Is there something inside a capsule that the compound is mixed with?
