The Henrique ⌬
@scihenrique.bsky.social
Brazilian hobbit 🇧🇷
--> https://orcid.org/0000-0002-8973-4902
Padawan / MSc / PhD Student / MedChem 🥼🧪
Coffee enthusiast and medicinal chemist🧬☕️
--> https://orcid.org/0000-0002-8973-4902
Padawan / MSc / PhD Student / MedChem 🥼🧪
Coffee enthusiast and medicinal chemist🧬☕️
The article provides detailed case studies of clinically relevant drugs such as repotrectinib, pralsetinib, netarsudil, ruxolitinib, upadacitinib, larotrectinib, abrocitinib, crizotinib, and capivasertib, emphasizing how stereochemistry is crucial for their biological activity.
May 23, 2025 at 6:51 PM
The article provides detailed case studies of clinically relevant drugs such as repotrectinib, pralsetinib, netarsudil, ruxolitinib, upadacitinib, larotrectinib, abrocitinib, crizotinib, and capivasertib, emphasizing how stereochemistry is crucial for their biological activity.
"By introducing a novel monoamine transporter inhibitor scaffold,66 our study also highlights how interdisciplinary research in academia can drive innovative early-stage drug discovery."
May 9, 2025 at 2:06 PM
"By introducing a novel monoamine transporter inhibitor scaffold,66 our study also highlights how interdisciplinary research in academia can drive innovative early-stage drug discovery."
For biological analysis, a virtual screening for pharmac. targets was performed.
The main targets: SLC6A2, SLC6A3, SLC6A4, and the σ-1 receptor.
The assays used radioligand displacement assays to evaluate activity against NET, DAT, and SERT.
The cis-benzylated form was the most potent in the series.
The main targets: SLC6A2, SLC6A3, SLC6A4, and the σ-1 receptor.
The assays used radioligand displacement assays to evaluate activity against NET, DAT, and SERT.
The cis-benzylated form was the most potent in the series.
May 9, 2025 at 2:06 PM
For biological analysis, a virtual screening for pharmac. targets was performed.
The main targets: SLC6A2, SLC6A3, SLC6A4, and the σ-1 receptor.
The assays used radioligand displacement assays to evaluate activity against NET, DAT, and SERT.
The cis-benzylated form was the most potent in the series.
The main targets: SLC6A2, SLC6A3, SLC6A4, and the σ-1 receptor.
The assays used radioligand displacement assays to evaluate activity against NET, DAT, and SERT.
The cis-benzylated form was the most potent in the series.
In silico investigation of cyclic systems leading to a chiral, N-benzylated azepane capable of modulating pharmacological targets relevant to central nervous system activities.
SLC6A2 and SLC6A3 (IC50 < 100 nM).
Main reaction explored = Beckmann rearrangement
SLC6A2 and SLC6A3 (IC50 < 100 nM).
Main reaction explored = Beckmann rearrangement
May 9, 2025 at 2:06 PM
In silico investigation of cyclic systems leading to a chiral, N-benzylated azepane capable of modulating pharmacological targets relevant to central nervous system activities.
SLC6A2 and SLC6A3 (IC50 < 100 nM).
Main reaction explored = Beckmann rearrangement
SLC6A2 and SLC6A3 (IC50 < 100 nM).
Main reaction explored = Beckmann rearrangement
Look at this... Appreciate the fantastic catalytic system.
-- Synthesis of Branched Alkylboronates by Copper-Catalyzed Allylic Substitution Reactions of Allylic Chlorides with 1,1-Diborylalkanes
Kim et al., 2015 / Angewandte
-- Synthesis of Branched Alkylboronates by Copper-Catalyzed Allylic Substitution Reactions of Allylic Chlorides with 1,1-Diborylalkanes
Kim et al., 2015 / Angewandte
April 26, 2025 at 3:54 PM
Look at this... Appreciate the fantastic catalytic system.
-- Synthesis of Branched Alkylboronates by Copper-Catalyzed Allylic Substitution Reactions of Allylic Chlorides with 1,1-Diborylalkanes
Kim et al., 2015 / Angewandte
-- Synthesis of Branched Alkylboronates by Copper-Catalyzed Allylic Substitution Reactions of Allylic Chlorides with 1,1-Diborylalkanes
Kim et al., 2015 / Angewandte
SAR about adenosine derivatives to block CD73 activity.
April 15, 2025 at 12:36 PM
SAR about adenosine derivatives to block CD73 activity.
Once upon a time…
March 15, 2025 at 3:00 PM
Once upon a time…
"Negative Allosteric Modulators of A2AR: A New Weapon for Cancer Immunotherapy? | Journal of Medicinal Chemistry"
Last issue of JMC
Last issue of JMC
March 5, 2025 at 2:38 PM
"Negative Allosteric Modulators of A2AR: A New Weapon for Cancer Immunotherapy? | Journal of Medicinal Chemistry"
Last issue of JMC
Last issue of JMC
New issue online!!!
Check out, dude!!
Check out, dude!!
February 13, 2025 at 6:48 PM
New issue online!!!
Check out, dude!!
Check out, dude!!
Webnar from Drug Hunter about drug discovery. Very interesting!
Sharing experiences and perspectives in the field.
In this webinar, the keyword "fragment-based drug design" was the main point that stuck in my mind.
It will be possible to use this technique in a new project of mine...
Sharing experiences and perspectives in the field.
In this webinar, the keyword "fragment-based drug design" was the main point that stuck in my mind.
It will be possible to use this technique in a new project of mine...
February 13, 2025 at 5:06 PM
Webnar from Drug Hunter about drug discovery. Very interesting!
Sharing experiences and perspectives in the field.
In this webinar, the keyword "fragment-based drug design" was the main point that stuck in my mind.
It will be possible to use this technique in a new project of mine...
Sharing experiences and perspectives in the field.
In this webinar, the keyword "fragment-based drug design" was the main point that stuck in my mind.
It will be possible to use this technique in a new project of mine...
SAR of EGFR inhibitors...
February 10, 2025 at 2:46 PM
SAR of EGFR inhibitors...
The last issue is on, babe!
January 23, 2025 at 5:14 PM
The last issue is on, babe!
HIhihihi
Meu novo filho para 2025...
Meu novo filho para 2025...
December 28, 2024 at 11:57 AM
HIhihihi
Meu novo filho para 2025...
Meu novo filho para 2025...
To reduce amide electrophilicity and decrease its hydrolysis by human metabolism, the authors added chemical groups.
This aimed to maintain the potency of the molecules and increase selectivity through a more rational design for the β-subunit of the cytochrome bc1 complex.
This aimed to maintain the potency of the molecules and increase selectivity through a more rational design for the β-subunit of the cytochrome bc1 complex.
December 16, 2024 at 12:38 PM
To reduce amide electrophilicity and decrease its hydrolysis by human metabolism, the authors added chemical groups.
This aimed to maintain the potency of the molecules and increase selectivity through a more rational design for the β-subunit of the cytochrome bc1 complex.
This aimed to maintain the potency of the molecules and increase selectivity through a more rational design for the β-subunit of the cytochrome bc1 complex.
Structural modifications were made to improve PK properties, resulting in molecule 2 with an MIC of 0.05 μM against Mtb strains.
However, further investigations concluded that the amide group was essential for activity, but there were PK issues.
However, further investigations concluded that the amide group was essential for activity, but there were PK issues.
December 16, 2024 at 12:38 PM
Structural modifications were made to improve PK properties, resulting in molecule 2 with an MIC of 0.05 μM against Mtb strains.
However, further investigations concluded that the amide group was essential for activity, but there were PK issues.
However, further investigations concluded that the amide group was essential for activity, but there were PK issues.
Despite the success of these drugs, more resistant strains have emerged, increasing clinical complications. Consequently, the drugs bedaquiline, delamanid, and pretomanid have been approved.
To expand the pharmacother. arsenal, the authors have explored derivat. of 2-(quinolin-4-yloxy)acetamides.
To expand the pharmacother. arsenal, the authors have explored derivat. of 2-(quinolin-4-yloxy)acetamides.
December 16, 2024 at 12:38 PM
Despite the success of these drugs, more resistant strains have emerged, increasing clinical complications. Consequently, the drugs bedaquiline, delamanid, and pretomanid have been approved.
To expand the pharmacother. arsenal, the authors have explored derivat. of 2-(quinolin-4-yloxy)acetamides.
To expand the pharmacother. arsenal, the authors have explored derivat. of 2-(quinolin-4-yloxy)acetamides.
In 2022, deaths caused by Mycobacterium tuberculosis (Mtb) reached approximately 1.3 million, making it the second leading cause of death after SARS-CoV-2. Tuberculosis, caused by Mtb, is treated with the drugs shown in the image below:
🧪 #ChemSky #DrugDiscovery #MedChem
🏮
🧪 #ChemSky #DrugDiscovery #MedChem
🏮
December 16, 2024 at 12:38 PM
In 2022, deaths caused by Mycobacterium tuberculosis (Mtb) reached approximately 1.3 million, making it the second leading cause of death after SARS-CoV-2. Tuberculosis, caused by Mtb, is treated with the drugs shown in the image below:
🧪 #ChemSky #DrugDiscovery #MedChem
🏮
🧪 #ChemSky #DrugDiscovery #MedChem
🏮
December 2, 2024 at 2:25 AM
The best compounds were indolic derivatives. Hit (S)-13j has a Ki of 9.4 nM and is a potent ligand for the LpxC enzyme.
Further in vitro bacterial inhibition and pharmacokinetic tests were carried out.
Therefore, I really recommended this article for drug designers.
Further in vitro bacterial inhibition and pharmacokinetic tests were carried out.
Therefore, I really recommended this article for drug designers.
November 30, 2024 at 3:43 PM
The best compounds were indolic derivatives. Hit (S)-13j has a Ki of 9.4 nM and is a potent ligand for the LpxC enzyme.
Further in vitro bacterial inhibition and pharmacokinetic tests were carried out.
Therefore, I really recommended this article for drug designers.
Further in vitro bacterial inhibition and pharmacokinetic tests were carried out.
Therefore, I really recommended this article for drug designers.
A search for fragments was carried out using STD-NMR, WaterLogsy and NOESY experiments. The best fragments were: indole, biphenyl and pyrazole. The authors therefore made several derivatives of these fragments, using an amide linker between the fragments and the hydroxamic acid.
November 30, 2024 at 3:43 PM
A search for fragments was carried out using STD-NMR, WaterLogsy and NOESY experiments. The best fragments were: indole, biphenyl and pyrazole. The authors therefore made several derivatives of these fragments, using an amide linker between the fragments and the hydroxamic acid.
Firstly, they focussed on leaving the hydroxamic acid as a scaffold, as well as a hydrophobic tail due to the target pocket of the LpxC activity site.
Asymmetric syntheses were employed, using reactions such as Staudinger-Vilarrasa, Wittig and Sonogashira coupling.
Asymmetric syntheses were employed, using reactions such as Staudinger-Vilarrasa, Wittig and Sonogashira coupling.
November 30, 2024 at 3:43 PM
Firstly, they focussed on leaving the hydroxamic acid as a scaffold, as well as a hydrophobic tail due to the target pocket of the LpxC activity site.
Asymmetric syntheses were employed, using reactions such as Staudinger-Vilarrasa, Wittig and Sonogashira coupling.
Asymmetric syntheses were employed, using reactions such as Staudinger-Vilarrasa, Wittig and Sonogashira coupling.