Chemical Biology and Drug Design

SEPTEMBER 28, 2023

The assay design is to discover bioactive small molecules that restore proliferation in T. brucei We hypothesized that chemically disrupting the SLiM-binding pocket would restore proliferation in T. brucei brucei , overproducing PCNA orthologs. Testing this hypothesis is the proof-of-concept for a T. brucei-

Small Molecule 100

Small Molecule DNA Regulations Research 100

Metabolite Tales Blog

APRIL 10, 2024

Table 1: Small molecule drugs approved by the FDA in 2023 with reported involvement of phase II mechanisms In vitro : In vivo differences Incubation of the SGLT2 (sodium-glucose co-transporter-2) inhibitor bexagliflozin in human liver microsomes points to metabolism through both oxidation and glucuronidation to 6 main metabolites.

Small Molecule 59

Small Molecule FDA Approval FDA Pharmacokinetics 59

Chemical Biology and Drug Design

JANUARY 27, 2025

Polyphyllin VII (PPVII), a small molecule natural product derived from the traditional herb Paris polyphylla, has shown anticancer potential. ABSTRACT Docetaxel (DTX) is the preferred chemotherapeutic drug for prostate cancer (Pca), but the emergence of resistance has significantly reduced its efficacy.

Small Molecule 100

Small Molecule Treatment Production Drugs 100

Practical Cheminformatics

JANUARY 16, 2024

Following up on Part I and Part II, the third post in this series is a collection of review articles published in 2023 that I found helpful.

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Targeted Protein Degradation Small Molecule Computational Chemistry Bioinformatics 139

The ChEMBL-og

OCTOBER 23, 2024

This project builds upon the PDBeKnowledge Base (PDBe-KB) resource and combines structural, functional, and biochemical information for small molecules and their targets. By integrating CSD identifiers in UniChem, it is now easier to identify the availability of crystal structures that contain a specific molecule of interest.

Small Molecule 117

Small Molecule Drugs Research Science 117

Drug Target Review

JULY 4, 2023

These therapies have broadened treatment options for patients to expand beyond the more traditional small molecule drug alternatives. In this article, Petra Dieterich, Ian Glassford, and Jeff Mocny, Scientific Leaders at Abzena discuss real-world data that is challenging traditional scientific thinking on the ADC therapeutic window.

Small Molecule 145

Small Molecule Drugs Clinical Pharmacology Trials 145

Metabolite Tales Blog

JANUARY 23, 2024

Metabolism of 2023 FDA Approved Small Molecules – PART 1 By Julia Shanu-Wilson 2023 was a fruitful year for drug approvals by the FDA, with a crop of 34 small molecules out of a total of 55 new drugs [1]. References [1] 2023 Novel Small Molecule FDA Drug Approvals.

Small Molecule 52

Small Molecule FDA Approval FDA Pharmacokinetics 52

Drug Hunter

JUNE 26, 2023

This article compiles recent high-profile clinical readouts and related news with small molecules of general interest and structures where they are available.

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Small Molecule RNA Trials Treatment 130

Chemical Biology and Drug Design

NOVEMBER 20, 2023

We employed a combined strategy involving molecular docking-based virtual screening, molecular dynamics (MD) simulation, and MM/GBSA free energy calculation on existing FDA-approved drugs. Sorafenib and glimepiride simultaneously downregulated c-Maf protein expression to induce G1 phase arrest and apoptosis in myeloma cells.

Small Molecule 100

Small Molecule Protein Expression FDA Approval FDA 100

Drug Target Review

JUNE 15, 2023

In this article Drug Target Review’s Izzy Wood spoke to Sam Hasson, Director of Target Biology at Rgenta Therapeutics, a biotech firm in Massachusetts, US, that aims to develop small molecule therapeutics to target RNA processing.

RNA 96

RNA Small Molecule Disease Assay Development 96

Drug Target Review

APRIL 7, 2025

Advancements in screening technologies for small-molecule drug discovery including cellular assays, computational screening, and biophysics-based methods enhanced by structural biology breakthroughs have improved screening hit rates and facilitated the identification of drug candidates for previously undruggable targets.

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Fragment Screening Drugs Small Molecule Biophysical Assays 52

Chemical Biology and Drug Design

DECEMBER 15, 2023

In an effort to identify new lead compounds with potential anticancer properties for further optimization, in vitro assays combined with in-silico target fishing and docking studies have been used to identify and further map out the antiproliferative and potential mode of action of molecules from a small library of compounds previously prepared in (..)

Small Molecule 100

Small Molecule Protein Expression Laboratories Research 100

Chemical Biology and Drug Design

APRIL 16, 2023

These results suggest that small molecule competitive inhibition against the SusG protein could impact the entire Bt Sus and eliminate or reduce the system's ability to metabolize starch.

Small Molecule 100

Small Molecule Drugs Research 100

Drug Target Review

JULY 23, 2024

This laid the groundwork for my career in drug discovery using novel modalities like small molecule inhibitors, antibodies, RNA interference (RNAi) and, currently, small molecule protein degraders – which are opportunities to change how we think about medicines.

Small Molecule 116

Small Molecule Targeted Protein Degradation Science Disease 116

KIF1A

JANUARY 27, 2024

Rare Roundup KRIBB develops new gene therapy candidate for hereditary spastic paraplegia This week we’re flipping the format and starting with our Rare Roundup, after families contacted us with this article about a gene therapy candidate for hereditary spastic paraplegia.

Therapies 111

Therapies Small Molecule DNA Treatment 111

Drug Target Review

JULY 13, 2023

In this article, we will delve into the world of condensate biology and explore the groundbreaking research projects undertaken to discover the potential they hold for diseases such as amyotrophic lateral sclerosis ( ALS ) and colorectal cancer.

Disease 98

Disease Small Molecule Cell Biology Drugs 98

Chemical Biology and Drug Design

DECEMBER 19, 2024

The new palmitoylated derivatives of thioglycolic acid are designed to mimic microbial lipopeptides as a new class of small-molecule immunomodulators. The most active compound ( 10 ) induced a 1226-fold increase in the expression of TNF- and IL-1 mRNA and triggered a marked release of NO in isolated macrophages at 1.0M.

Small Molecule 100

Small Molecule Immune Response Research 100

Chemical Biology and Drug Design

DECEMBER 12, 2024

We have previously shown triaminopyrimidines such as CK-1-41 are potent, reversible small molecule inhibitors of caspase-1, likely binding in an allosteric site within the enzyme. A series of analogs of CK-1-41 were synthesized and tested against caspase-1 to develop a more robust structureactivity relationship profile.

Small Molecule 100

Small Molecule Drugs Research 100

Chemical Biology and Drug Design

JUNE 7, 2023

Our MD simulation results also revealed that the 5-hydroxy-4H-thioxen-4-one group and terminal carboxyl group were critical groups responsible for interaction of small molecules with SIRT7. ZINC000001910616 and ZINC000014708529, two of our leading compounds, showed strong interactions with SIRT7.

Small Molecule 100

Small Molecule Treatment Research 100

Chemical Biology and Drug Design

JULY 27, 2023

Abstract The small molecule, isatin, is a well-known reversible inhibitor of the monoamine oxidase (MAO) enzymes with IC 50 values of 12.3 This study investigated the SARs of MAO inhibition by isatin analogues and discovered five compounds with IC 50  < 1 μM. μM for MAO-A and MAO-B, respectively.

Small Molecule 100

Small Molecule Treatment Disease Drugs 100

Chemical Biology and Drug Design

MAY 11, 2023

In discovery of novel small molecules that interfere PCSK9/LDLR protein–protein interaction (PPI), structural modification was performed based on our previously derived compounds. Abstract Proprotein convertase subtilisin/kexin type 9 (PCSK9) has emerged as a promising therapeutic target for the treatment of hyperlipidemia.

Small Molecule 100

Small Molecule Treatment Research 100

Molecular Design

DECEMBER 31, 2024

My pulse will be quickenin' With each drop of strychnine We feed to a pigeon It just takes a smidgin To poison a pigeon in the park Tom Lehrer, Poisoning Pigeons in the Park | video ** Ill be reviewing the H2024 study (Occurrence of Natural Selection in Successful Small Molecule Drug Discovery) in this post.

Small Molecule 85

Small Molecule Drugs Production Science 85

Drug Target Review

NOVEMBER 6, 2023

These regimens frequently include one or two small molecule inhibitors and immuno-oncology (IO) therapies, such as monoclonal antibodies and T-cell engagers. This article was written and developed by AstraZeneca.

Small Molecule 111

Small Molecule Therapies Treatment Disease 111

Broad Institute

JUNE 30, 2023

The researchers also looked at the tool’s ability to detect changes in cellular phenotypes after exposure to drugs and small molecule compounds. Typically, studying drug therapies is an expensive and time-consuming undertaking.

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Small Molecule Cell Based Assays Disease Assay Development 105

The Pharma Data

OCTOBER 15, 2020

a leading biotechnology company developing small molecule therapeutics based on its proprietary uSMITE platform of targeted protein degradation technology, today announced that the company’s internal program to develop selective degraders that target key proteins within the TRK family has been published by the Journal of Medicinal Chemistry.

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Targeted Protein Degradation Small Molecule Science Disease 40

The Pharma Data

FEBRUARY 24, 2022

They then developed a new therapeutic approach with a potent small-molecule inhibitor of this enzyme. “We are amazed by the efficiency of small-molecule PROTAC in simultaneously targeting EZH2 and cMyc in cancer cells.” MS177 targets both EZH2 and cMyc and thus inhibit cancer growth.

Small Molecule 52

Small Molecule Cell Biology Research Drug Development 52

KIF1A

JULY 22, 2023

If these mutations change the structure of mutant KIF1A to help it perform better, this begs the question: Can we identify small molecules that fix the structure of mutant R9Q/R11Q KIF1A? Read the Article The post #ScienceSaturday: July 22, 2023 appeared first on KIF1A. Fisetin alleviates R9Q C.

Small Molecule 98

Small Molecule FDA Disease Treatment 98

KIF1A

JULY 1, 2023

But we may find that we have a wealth of potential small molecule solutions for newly recognized disorders, just waiting to be rediscovered, and repositioned. Read the Article The post #ScienceSaturday: July 1, 2023 appeared first on KIF1A.

Small Molecule 98

Small Molecule FDA Approval Disease Pharmaceutical Companies 98

Drug Target Review

APRIL 7, 2025

Novel mechanisms of action associated with CGTs naturally create dosing effects that apply in very different ways than with traditional small molecule pharmacotherapies.

Clinical Development 59

Clinical Development Clinical Trials Clinical Pharmacology Trials 59

Molecular Design

DECEMBER 19, 2023

I’ll be taking a look at H2023 (Expanding Chemical Probe Space: Quality Criteria for Covalent and Degrader Probes) in this post and this article has also been discussed In The Pipeline. Subscripting doesn't work well in blogger and so I'll use K.i I’ll start with Section 2.1

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Small Molecule Biochemical Assays Cell Based Assays Drugs 65

Molecular Design

DECEMBER 31, 2023

My main criticism of BW2014 that is that the rhetoric is not supported by data and I’ve always seen the article as something of a propaganda piece. I was rather surprised that BW2014 had not cited a single article about how colloidal aggregation can foil drug discovery. Given that M2003 had been published over a decade previously.

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Drugs Packaging Cell Based Assays Small Molecule 96

Dark Matter Blog

AUGUST 31, 2020

The majority of small molecule drugs induce their therapeutic effects by seeking out and binding to their intended target while avoiding most other molecules in the dense milieu of the cell interior. Our overall mission at Arrakis is to expand the set of “druggable” targets for small-molecule medicines to include RNA.

RNA 52

RNA Small Molecule Bioinformatics Computational Chemistry 52

Metabolite Tales Blog

OCTOBER 5, 2023

Trapping agents are described for reactive metabolites that could ordinarily be overlooked due to quenching with endogenous small molecules and protein nucleophiles. Journal of Medicinal Chemistry Article ASAP. Christopher, Robert S. Foti, Chungang Gu, S. Cyrus Khojasteh, Joyce Liu, Shuguang Ma, Bin Ma, R.

Small Molecule 52

Small Molecule DNA Drug Development Drugs 52

PerkinElmer

MAY 28, 2020

In a recent article published in Emerging Microbes & Infections Journal, scientists from the National Institutes for Food and Drug Control (NIFDC) have identified the S protein as the point of entry for the novel virus – starting the process of infection and key to producing humoral and cellular immunity to fight the virus.

Vaccine 52

Vaccine Disease Virus Small Molecule 52

Drug Target Review

JULY 18, 2023

This article is the second part of my interview with Olivia Cavlan, Chief Corporate Development and Strategy Officer at Alchemab Therapeutics Ltd, this time exploring the AI applications in personalised medicine, and the evolving landscape of drug development.

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Drug Development Drugs Clinical Development Pharmaceutical Companies 98

Agency IQ

NOVEMBER 27, 2023

In a study of more than 12,000 small molecule drugs , researchers found 40.4% These API-derived nitrosamines are referred to as Nitrosamine Drug Substance Related Impurities (NDSRIs) and represent an unprecedented development with manufacturing, quality, and product safety implications. of the APIs analyzed were nitrosamine precursors.

Regulations 40

Regulations Production FDA Packaging 40

The Pharma Data

NOVEMBER 29, 2020

” “The emergence of the PROTAC technology represents another breakthrough in the identification of small molecule drugs. Small-molecule inhibitors of the MDM2-p53 protein-protein interaction (MDM2 inhibitors) in clinical trials for cancer treatment. ” References: Zhao, Y.; Aguilar, A.; Bernard, D.;

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Licensing Licensing Small Molecule Clinical Trials 40