June 14, 2021, 10:40:33 PM
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Topic: Atropine, physostigmine and pilocarpine  (Read 180 times)

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Atropine, physostigmine and pilocarpine
« on: April 30, 2021, 08:36:56 PM »
Atropine, physostigmine and pilocarpine are drugs obtained from medicinal plants.

Describe, based on their structure, the possible interactions between these molecules and their respective targets. Support your answer with chemical structures of the mentioned drugs and suggest how the drug's functional groups participate in the drug-target binding.

Propose structures of new analogues of atropine and physostigmine. Use drug design strategies to justify the suggested molecules and explain how they can give similar activity.

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Re: Atropine, physostigmine and pilocarpine
« Reply #1 on: May 01, 2021, 02:27:40 AM »
Show us your thoughts.

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Re: Atropine, physostigmine and pilocarpine
« Reply #2 on: May 01, 2021, 05:56:44 AM »
The chemical structure of atropine contains 4 main functional groups: an aromatic ring, an alcohol, an amine and an ester. Also, there are 4 hydrogen bond acceptors and 1 hydrogen bond donor. 

The chemical structure of pilocarpine contains an imidazole ring, a methyl, a gamma-lactone ring and an ethyl. Also, there are 3 hydrogen bond acceptors and there is no hydrogen bond donor.

The chemical structure of physostigmine contains an aromatic ring, two nitrogen atoms and carbamate. Also, there are 4 hydrogen bond acceptors and 1 hydrogen bond donor.

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