Chemical Biology and Drug Design

MARCH 14, 2025

Fragment-based drug discovery (FBDD) was applied to cytochrome P450 3A4 reconstituted in Nanodiscs (NDs) with various lipid compositions. The choice of ND lipid influenced drug membrane interactions and fragment hit rates, demonstrating the critical role of the membrane environment in fragment screening for membrane proteins.

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Fragment Screening Pharmacokinetics Drugs Marketing 100

Drug Target Review

APRIL 7, 2025

Fragment-based screening (FBS) has emerged as a powerful tool for discovering novel lead compounds, especially for challenging targets like the Adenosine A2a receptor. The Adenosine A2a receptor was expressed in insect cells using a baculoviral expression system. References Sun D, et al.

Fragment Screening 52

Fragment Screening Drugs Small Molecule Biophysical Assays 52

Molecular Design

MAY 26, 2020

I’m currently in Trinidad so I’ll share a photo from Berwick-on-Sea, on Trinidad's north coast (and the correspondence address for a two [ K2017 | K2019 ] of my more controversial articles). Martin and I wrote a short article which we uploaded to figshare and Martin also did a blog post.

Fragment Screening 52

Fragment Screening Drugs 52

Molecular Design

JULY 18, 2020

The binding mode observed for 1 is shown below in Figure 1 and it’s likely that the groove region will need to be more fully exploited (this article will give you an idea of the sort of thing I have in mind) in order to achieve acceptable potency if the aldehyde warhead is replaced by nitrile. by forming a ring). by forming a ring).

Biochemical Assays 52

Biochemical Assays Fragment Screening Pharmacokinetics Drugs 52

Molecular Design

JANUARY 12, 2021

In the fourth of his rules for air fighting , ‘Sailor’ Malan (readers may also be interested in his insights into fragment screening library design ) asserts that “height gives you the initiative” which can be adapted for drug design as “affinity gives you the initiative”.

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Fragment Screening Treatment Nurses Doctors 52

PerkinElmer

JUNE 3, 2022

The second virtual screen focused on optimization of a hit from a previous crystallographic fragment screen. Fragment-to-lead optimization was guided by searches in a library of millions of compounds combined with docking screens to select the best candidate.

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Fragment Screening Clinical Trials Vaccine Pharmacokinetics 52

Molecular Design

AUGUST 2, 2020

Paramin panorama Crystallographic fragment screens have been run recently against the main protease (at Diamond ) and the Nsp3 macrodomain (at UCSF and Diamond ) of SARS-Cov-2 and I thought that it might be of interest to take a closer look at why we screen fragments.

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Fragment Screening Computational Chemistry Engineering Drugs 40