ProRelix Research

MAY 22, 2024

The transition of a drug, medical device, or biopharmaceutical from the laboratory bench to bedside involves a long series of steps starting from drug discovery, computational chemistry, in vitro and […] The post Requirements to Conduct First-in-Human (FIH) Clinical Trials for Biopharmaceuticals appeared first on ProRelix Research.

Clinical Trials 52

Clinical Trials Computational Chemistry Trials Laboratories 52

Drug Target Review

SEPTEMBER 20, 2023

“AI will not replace drug discovery scientists, but drug discovery scientists who use AI will replace those who don’t” – comment during EFMC meeting 2018 Progressing a drug molecule from concept to commercialisation typically takes 10-15 years and has high associated costs of up to $2 billion per launched drug, if all failures are factored in.

Drugs 105

Drugs Metabolic Stability Computational Chemistry Pharmaceuticals 105

Sygnature Discovery

APRIL 18, 2023

Sygnature Discovery will provide integrated drug discovery support using specialist fragment-based drug discovery (FBDD) and virtual high throughput screening (vHTS) expertise from its medicinal chemistry, biology, and computational science teams.

Small Molecule 52

Small Molecule Computational Chemistry Research Science 52

Practical Cheminformatics

DECEMBER 7, 2023

A recent editorial by Dean Brown in J Med Chem and follow-up posts by Keith Hornberger and Derek Lowe prompted me to think about how we train computational chemists and cheminformaticians for careers in drug discovery. Like medicinal chemists, most computational chemists learn on the job from more experienced colleagues.

Computational Chemistry 86

Computational Chemistry Pharmacokinetics Drugs Pharmaceutical Companies 86

The ChEMBL-og

DECEMBER 12, 2024

ASAP adopts a state-of-the-art structure-enabled paradigm capable of leveraging recent advances in AI/ML and computational chemistry in identifying, enabling, and prosecuting discovery campaigns for novel antivirals. #

Computational Chemistry 83

Computational Chemistry Disease Drugs 83

Drug Target Review

NOVEMBER 1, 2023

Could you provide an overview of your research on target directed cancer drug discovery, particularly your focus on protein lagging interactions. I work in the Centre for Cancer Drug Discovery (CCDD) at The Institute of Cancer Research in London, which is an academic drug discovery centre. 2013) 56, 2059-2073.

Fragment Screening 96

Fragment Screening Biochemical Assays Small Molecule Biophysical Assays 96

Sygnature Discovery

FEBRUARY 14, 2025

High-quality datasets and robust screening methodologies are essential for optimizing outcomes and achieving successful hit identification in computational chemistry workflows. Representative subsets of 10 160 million compounds are also available for structure-based applications.

Computational Chemistry 52

Computational Chemistry Drugs 52

Sygnature Discovery

FEBRUARY 14, 2025

High-quality datasets and robust screening methodologies are essential for optimizing outcomes and achieving successful hit identification in computational chemistry workflows. Representative subsets of 10 160 million compounds are also available for structure-based applications.

Computational Chemistry 52

Computational Chemistry Drugs 52

Sygnature Discovery

FEBRUARY 14, 2025

High-quality datasets and robust screening methodologies are essential for optimizing outcomes and achieving successful hit identification in computational chemistry workflows. Representative subsets of 10 160 million compounds are also available for structure-based applications.

Computational Chemistry 52

Computational Chemistry Drugs 52

Sygnature Discovery

MAY 9, 2022

Sygnature are thrilled to announce that we have embarked on a 3-year collaboration agreement with Iktos , an innovative technology company specialising in Artificial Intelligence (AI) for new drug design.

Computational Chemistry 52

Computational Chemistry Pharmaceutical Companies Science Drugs 52

Sygnature Discovery

MARCH 24, 2022

Sygnature’s first logo Led by founder Simon Hirst, this ambitious small Chemistry group hit the ground running, quickly developing strong relationships with customers and expanding into other scientific specialities like Computational Chemistry. The 500 employee landmark has been reached. We’re hiring …

Computational Chemistry 52

Computational Chemistry International Science Pharmaceuticals 52

Molecular Design

SEPTEMBER 27, 2023

The five days spent discussing computer-aided drug design (CADD) in Vermont are what I’ll be covering in this post and I think it’s worth saying something about what drugs need to do in order to function safely. It is indeed a small world.

Computational Chemistry 90

Computational Chemistry Drugs Laboratories Production 90

Sygnature Discovery

JULY 31, 2023

Leading integrated drug discovery partner, Sygnature Discovery (“Sygnature”) has announced its acquisition of one of North America’s largest discovery Contract Research Organisations, Canada-based NuChem Sciences. Previous acquisitions made were Peak Proteins in April 2022 and SB Drug Discovery in January 2023. Marc Lebel, Pharm.

Computational Chemistry 52

Computational Chemistry Science Clinical Trials Pharmaceutical Companies 52

The Pharma Data

NOVEMBER 15, 2020

We have fully equipped labs for all stages of drug discovery, including medicinal chemistry, cellular pharmacology, and molecular pharmacology, as well as an “ in silico ” lab for our computational chemistry, bioinformatics, and data mining activities.

Small Molecule 52

Small Molecule Licensing Licensing Disease 52

The Pharma Data

DECEMBER 13, 2020

Since its establishment, Viva Biotech has been providing comprehensive new drug R&D services to nearly 500 world’s top pharmaceutical and biotech companies based on Viva’s excellence in structure-based drug discovery. Dr. David Xu , CBO of Viva Biotech, described the development and future prospects of the EFS model.

Small Molecule 40

Small Molecule Computational Chemistry Pharmaceuticals Production 40

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. To this end, we selected a known rSM-RNA system, Aptamer 21, which possessed several attractive features.

RNA 52

RNA Small Molecule Bioinformatics Computational Chemistry 52

Drug Target Review

MAY 31, 2024

My career choice was made from an early age when I was deeply affected by both my Uncle’s HIV+ diagnosis and then the extraordinary cocktails of antiretroviral drugs he took, which gave me another 20 years with him beyond his doctor’s initial grim projection. They are only going to do that when they feel valued and heard.

Organic Chemistry 45

Organic Chemistry Computational Chemistry Small Molecule Disease 45

LifeSciVC

APRIL 27, 2023

The premise at the time was that putting computational chemistry in the primary position for new molecule ideation would upend the drug discovery paradigm. set up a “virtual project team,” leverage Schrödinger scientists to lead computational chemistry, and do all the wet work at CROs. It did just that.

Small Molecule 40

Small Molecule Computational Chemistry Engineering Clinical Development 40

Molecular Design

AUGUST 2, 2020

Fragment-based lead discovery (FBLD) actually has origins in both crystallography [ V1992 | A1996 ] and computational chemistry [ M1991 | B1992 | E1994 ]. My view of thermodynamic signature characterization in drug discovery is that it’s, in essence, a solution that’s desperately seeking a problem.

Fragment Screening 40

Fragment Screening Computational Chemistry Engineering Drugs 40

Nvidia Developer: Drug Discovery

JUNE 24, 2022

The field of drug discovery is at a fascinating inflection point. The field of drug discovery is at a fascinating inflection point. Eroom’s Law observes that drug discovery is becoming slower and more expensive over time, despite improvements in technology.

Drugs 52

Drugs Computational Chemistry FDA Approval Research 52

LifeSciVC

APRIL 8, 2025

Nimbus Therapeutics has leveraged modular drug discovery and computational chemistry platforms that align with DARPA- and BARDA-style interests in scalable, rapid-response therapeutic development. Isomorphic Labs, an Alphabet subsidiary, recently raised $600M to advance its mission of using AI to transform drug discovery.

RNA 49

RNA Packaging Computational Chemistry Science 49