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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How stable is Remdesivir when vial vacuum is broken and/or it is reconstituted with sterile water?
I was recently looking at how long can Remdesivir be stored in its different forms.
I came up across several articles provided by the FDA and Gilead Sciences and others.
What caught my eye was the ...
1
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3answers
48 views
When an aqueous extract of a substance is said to be administered at a certain quantity, is the quoted mass analogous to one as original substance?
I'm trying to read studies about the possible toxicity of the leaves of some plant often said to possess positive medicinal properties.
In the studies, performed on rats, it is usually said that an ...
0
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2answers
76 views
Why are most medicines in salt form? [duplicate]
Is there a reason for why most medicines are in salt form?
Why not have them in conjugate base form?
5
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2answers
56 views
Why are nanoliposome encapsulated antibiotics still so unavailable despite being so effective?
I wasnt sure how the phrase the headline question really nor if this is the right place to ask it, but i'm primarily interested in the chemical synthesis aspect and the experience of chemists ...
6
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0answers
60 views
Are there any ADME predictions tools available for Python/RDKit?
Is there any Pythonic way (a.k.a: a module, an rdkit package, etc) or an API I can use for ADME predictions? I need to prioritize some compounds for purchase/synthesis and some sort of ADME scoring ...
1
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1answer
88 views
How does Combinatorial Chemistry differ from Rational Drug Design?
I stumbled on Vertex Pharmaceuticals - Wikipedia.
It was one of the first biotech firms to use an explicit strategy of rational drug design rather than combinatorial chemistry.
Then I looked up ...
4
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0answers
52 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
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0answers
51 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
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0answers
42 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 ...
3
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0answers
50 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
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0answers
56 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
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0answers
29 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 ...
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2answers
1k 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
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0answers
224 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 ...
8
votes
2answers
231 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
65 views
Is a liquid vitamin E supplement possible without additives? [closed]
Looking at E vitamin products sold commercially, all “pure vitamin E oil” products seem to be for skincare rather than consumption as a supplement.
I have read that d-alpha tocopherol is the form of ...
2
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0answers
109 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
71 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
72 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
154 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
162 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 ...
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1answer
60 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.
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1answer
38 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 ...
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1answer
33 views
15
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1answer
10k 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
99 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
296 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
924 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
903 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
43 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
61 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
206 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 ...
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votes
1answer
706 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
649 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
918 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
223 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 ...
2
votes
2answers
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 ...
2
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0answers
28 views
For Penicillin Binding proteins, why is the Enzyme-peptide complex less stable than an enzyme-β-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 β-lactam antibiotics.
PBPs cross-link adjacent pentapeptides to form ...
2
votes
1answer
597 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
9k 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
1k 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
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1answer
47 views
Different names for Fidaxomicin (OPT-80)?
Is OPT in OPT-80 an abbreviation? If so, what is the full name?
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0answers
681 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-...
6
votes
2answers
7k views
Why do halogen substituents make molecules more lipophilic?
According to my medicinal chemistry text book, halogens increase a drug’s 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
175 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
135 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
1k 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
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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, ...
