Drug Hunter

AUGUST 15, 2023

LRRK2 has been a hotly pursued drug target for Parkinson’s Disease based on human genetics. Drug Hunter Premium is drug discovery, distilled, so you can quickly catch up and make informed decisions based on industry examples. appeared first on Drug Hunter. Get ahead now by requesting a trial. already a member?

Small Molecule 229

Small Molecule Trials Treatment Disease 229

Drug Target Review

JULY 4, 2023

Over the last two decades, an increasing number of Antibody Drug Conjugate (ADC) therapeutics have been approved for oncology indications. These therapies have broadened treatment options for patients to expand beyond the more traditional small molecule drug alternatives. 3D rendering of Antibody Drug Conjugate Molecules.

Small Molecule 145

Small Molecule Drugs Clinical Pharmacology Trials 145

Practical Cheminformatics

JANUARY 16, 2024

Property Prediction Machine Learning Methods for Small Data Challenges in Molecular Science [link] Practical guidelines for the use of gradient boosting for molecular property prediction [link] Application of message passing neural networks for molecular property prediction [link] Molecular Similarity Molecular Similarity: Theory, Applications, and (..)

Targeted Protein Degradation 140

Targeted Protein Degradation Small Molecule Computational Chemistry Bioinformatics 140

Metabolite Tales Blog

APRIL 10, 2024

Where data was publicly available, the routes of human metabolism for each of the drugs in this subset is listed in Table 1. Metabolites found in humans are also observed in monkeys, and all metabolites were found to possess <10% of the activity of the parent drug. of the administered radiolabel in the human ADME study.

Small Molecule 59

Small Molecule FDA Approval FDA Pharmacokinetics 59

Science Daily: Pharmacology News

APRIL 10, 2024

In a new breakthrough that could revolutionise medical and material engineering, scientists have developed a first-of-its-kind molecular device that controls the release of multiple small molecules using force.

Small Molecule 140

Small Molecule Engineering Drugs 140

Drug Hunter

MAY 31, 2023

This article compiles 20+ recent small molecules of general interest in the news in April 2023, with structures where they are available. Drug Hunter Premium is drug discovery, distilled, so you can quickly catch up and make informed decisions based on industry examples. Get ahead now by requesting a trial.

Small Molecule 196

Small Molecule Clinical Trials Trials Drugs 196

Covalent Modifiers

FEBRUARY 15, 2024

Herein, we use afatinib as a lead to undertake a structure-based drug design approach, aided by mass-spectrometry and x-ray crystallography, to develop DHC-156, a small molecule that more selectively binds brachyury and downmodulates it as potently as afatinib.

Small Molecule 64

Small Molecule FDA Approval FDA Therapies 64

Drug Hunter

JUNE 29, 2023

The talk covered: Theoretical advantages of targeted protein degradation over traditional small molecules Recent highlights throughout the industry illustrating these advantages Areas to watch in targeted protein degradation on the horizon Some of the highlights mentioned in the talk include: IV STAT3 degraders from Kymera Therapeutics (e.g.

Targeted Protein Degradation 221

Targeted Protein Degradation Small Molecule Drugs 221

Covalent Modifiers

SEPTEMBER 18, 2024

Overall, our findings highlight the potential of developing isoform-selective and cell-active JNK3 inhibitors by covalent drug design strategy targeting a conserved cysteine. This work not only provides a valuable chemical probe for JNK3-targeted investigations in vitro and in vivo but also opens new avenues for the treatment of PD.

Small Molecule 84

Small Molecule Disease Treatment Drugs 84

The ChEMBL-og

OCTOBER 23, 2024

In the quest to develop new drugs, understanding the 3D structure of molecules is crucial. Resources like the Protein Data Bank in Europe (PDBe) and the Cambridge Structural Database (CSD) provide these 3D blueprints for many biological molecules. ChEMBL is a treasure trove of bioactivity data for countless drug-like molecules.

Small Molecule 117

Small Molecule Drugs Research Science 117

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]. Enzymes involved include CYP1A2, CYP2C8, CYP3A4, CYP4F2, and aldehyde oxidase (AOX).

Small Molecule 52

Small Molecule FDA Approval FDA Pharmacokinetics 52

Covalent Modifiers

SEPTEMBER 9, 2023

3c05161 The stabilization of protein–protein interactions (PPIs) has emerged as a promising strategy in chemical biology and drug discovery. Here, we show the structure-based optimization of the nonselective fragment toward selective and highly potent small-molecule stabilizers of the 14-3-3σ/ERα complex.

Small Molecule 80

Small Molecule Biophysical Assays Production Drugs 80

Covalent Modifiers

FEBRUARY 6, 2024

Fibroblast growth factor receptor (FGFR) kinase inhibitors have been shown to be effective in the treatment of intrahepatic cholangiocarcinoma and other advanced solid tumors harboring FGFR2 alterations, but the toxicity of these drugs frequently leads to dose reduction or interruption of treatment such that maximum efficacy cannot be achieved.

Small Molecule 89

Small Molecule Treatment Science Therapies 89

Metabolite Tales Blog

JANUARY 26, 2023

Metabolism of 2022 FDA approved small molecule drugs – Part 1 Does CYP3A4 still rule? By Julia Shanu-Wilson It won’t come as much surprise to learn that of the 17 small molecules* approved by the FDA in 2022, CYP3A4 was the major player in drug metabolism.

Small Molecule 52

Small Molecule FDA Approval FDA Drugs 52

Metabolite Tales Blog

APRIL 4, 2023

Metabolism of 2022 FDA approved small molecule drugs part 2 Mixing it Up By Julia Shanu-Wilson In Part 1 of this topic we looked at metabolism of the small molecule drugs approved by the FDA in 2022 that were mediated by CYP3A4.

Small Molecule 52

Small Molecule FDA Approval FDA Drugs 52

Drug Discovery Today

APRIL 20, 2023

Global integrated drug discovery company, Sygnature Discovery and global healthcare group Daewoong Pharmaceutical, have entered into a research collaboration agreement to accelerate the discovery of a novel small molecule to target autoimmune disease.

Small Molecule 113

Small Molecule Research Drugs Pharmaceuticals 113

Science Daily: Pharmacology News

APRIL 5, 2024

The active ingredient in many drugs is what's known as a small molecule: bigger than water, much smaller than an antibody and mainly made of carbon. It's tough, however, to make these molecules if they require a quaternary carbon -- a carbon atom bonded to four other carbon atoms.

Small Molecule 129

Small Molecule Drugs 129

Broad Institute

OCTOBER 29, 2024

New drug triggers rapid cell death in cancer models By Karen Zusi-Tran October 29, 2024 Breadcrumb Home New drug triggers rapid cell death in cancer models BRD-810 inhibits the MCL1 protein and reactivates apoptosis in tumor cells, displaying therapeutic potential in animal models. The result was the compound named BRD-810.

Drugs 133

Drugs Small Molecule Pharmacokinetics Clinical Trials 133

BioPharma Drive: Drug Pricing

AUGUST 28, 2024

Under a collaboration with NextRNA Therapeutics, Bayer will access the biotech’s platform to target long, non-coding RNA interactions with small molecule drugs.

RNA 119

RNA Small Molecule Therapies Drugs 119

Dark Matter Blog

APRIL 4, 2023

The bulk of my nearly three decades of experience up to that point was with drugging protein targets using a variety of modalities, but principally small molecules. It’s all well and good to say, “we should drug RNA,” but which RNA? Prior to 2015, I had a casual relationship, at best, with targeting RNA.

Small Molecule 52

Small Molecule RNA Fragment Screening DNA 52

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

Nvidia Developer: Drug Discovery

DECEMBER 3, 2024

Their specificity reduces the likelihood of off-target effects, making them safer and often more effective than small-molecule drugs for complex conditions. As a result… Source

Small Molecule 96

Small Molecule Disease Drugs Science 96

Broad Institute

OCTOBER 4, 2023

By Allessandra DiCorato October 4, 2023 Credit: AbbVie The new small molecule inhibitor (green) sits inside the PTPN2 protein, where acidic sites are marked in red and basic sites are marked in blue. A new small-molecule drug candidate being tested in an early-stage clinical trial aims to improve patient responses to immunotherapy.

Small Molecule 128

Small Molecule Clinical Trials Engineering Trials 128

DrugBank

MAY 15, 2024

The road to developing effective drugs is fraught with both promise and challenge, particularly when it comes to what scientists call "undruggable" targets. The Evolution of Drug Discovery: From Dark Rooms to Precision Targets In the past, drug discovery often felt like a lucky guess.

Small Molecule 82

Small Molecule Molecular Biology Drugs Disease 82

DrugBank

JULY 24, 2024

In the constantly evolving field of drug discovery, the term “undruggable” refers to proteins and targets in the body that, until recently, were considered impossible to treat with traditional drugs. This is a game-changer, especially in the fight against cancer and other complex diseases.

Small Molecule 83

Small Molecule Drugs Clinical Trials Therapies 83

Drug Target Review

OCTOBER 4, 2023

Antibody-drug conjugates (ADCs) have been a groundbreaking approach to cancer treatment with their ability to deliver cytotoxic drugs directly to diseased cells while sparing healthy tissues. 1 However, efforts proved less effective than the original drugs, owing mostly to insufficient toxicity against cancer cells.

Small Molecule 126

Small Molecule Drugs Immune Response Targeted Protein Degradation 126

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

Science Daily: Pharmacology News

NOVEMBER 13, 2023

A compound -- one of 27 million screened in a library of potential new drugs -- reversed four types of chronic pain in animal studies, according to new research.

Small Molecule 90

Small Molecule Regulations Drugs Research 90

Drug Target Review

JANUARY 10, 2024

Both are a focus for exciting new small-molecule drug therapeutics that target cancers and autoimmune disorders. There is extensive crosstalk between the DNA damage response (DDR) and innate immune pathways.

DNA 104

DNA Biochemical Assays Small Molecule Drugs 104

Drug Target Review

JULY 13, 2023

Drug discovery is a complex and vital field that continually seeks to identify new therapeutic targets and develop effective treatments. In recent years, a novel approach known as condensate biology has emerged, revolutionising the way researchers think about drug discovery and development.

Disease 98

Disease Small Molecule Cell Biology Drugs 98

Broad Institute

MARCH 14, 2024

In one approach, they mark targeted proteins with “destroy me” tags that work with small molecules known as molecular glues to prompt the cell’s own protein-clearing machinery to gobble up the proteins. Liu is also a Howard Hughes Medical Institute investigator and a professor at Harvard University.

Targeted Protein Degradation 141

Targeted Protein Degradation Small Molecule Medical Schools Science 141

Covalent Modifiers

JANUARY 29, 2024

3c01835 Building on recent advances in peptide science, medicinal chemists have developed a hybrid class of bioconjugates, called peptide–drug conjugates, that demonstrate improved efficacy compared to peptides and small molecules independently. Moore Journal of Medicinal Chemistry 2024 DOI: 10.1021/acs.jmedchem.3c01835

Small Molecule 69

Small Molecule Drugs Science Disease 69

ASPET

SEPTEMBER 16, 2024

We previously identified a small molecule, UM101, predicted to bind to the substrate-binding groove of p38aMitogen-activated Protein Kinase (MAPK) near the binding site of its proinflammatory substrate, MAPK-activated protein kinase (MK2). UM101 exhibited anti-inflammatory, endothelial-stabilizing, and lung-protective effects.

Small Molecule 100

Small Molecule Drugs 100

Fierce BioTech

JULY 10, 2023

It is estimated that 70% to 80%1 of small molecule drug candidates in development today can be classified as poorly water-soluble. Optimize Your Drug Development Timeline With This Dosage Form Can you name five benefits of using liquid-filled, hard-shell capsules in drug development over other solid oral dosage forms?

Drug Development 78

Drug Development Small Molecule Drugs 78

Chemical Biology and Drug Design

APRIL 16, 2023

Molecular docking and molecular dynamics calculations describe the binding interaction of the drug acarbose with the membrane-bound amylase, SusG, of the starch utilization system resident in Bacteroides thetaiotaomicron.

Small Molecule 100

Small Molecule Drugs Research 100

SCIENMAG: Medicine & Health

JUNE 27, 2023

Credit: Insilico Medicine […]

Small Molecule 91

Small Molecule Trials Clinical Trials Drugs 91

Drug Target Review

JULY 6, 2023

1 TPD is expected to challenge undruggable proteins, which are highly difficult to target by conventional small molecules. Unlike traditional drug discovery, which focuses on inhibiting or activating proteins, TPD offers a more precise and efficient way to alter cellular pathways. How does TPD work?

Targeted Protein Degradation 98

Targeted Protein Degradation Small Molecule Clinical Trials Science 98