About Al Dossetter

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So far Al Dossetter has created 43 blog entries.

MedChem paper of the month – June 2024

2024-06-19T13:39:25+00:00

Identification of Novel, Selective Ataxia-Telangiectasia Mutated Kinase Inhibitors with the Ability to Penetrate the Blood−Brain Barrier: The Discovery of AZD1390 Achieving CNS penetration, when desired, is a hugely important and sometimes very difficult hurdle to overcome. To do this, the Blood-Brain Barrier (BBB): with its unique lining of endothelial cells and its cocktail of efflux

MedChem paper of the month – June 20242024-06-19T13:39:25+00:00

MedChem paper of the month – Dec 2023

2023-12-21T15:04:17+00:00

The First ATP Competitive Type-III c-MET Inhibitor? In this paper, the target was c-MET, which is a receptor tyrosine kinase implicated in the development of tumour cells. Hyperactivation of c-MET is associated with poor prognoses in cancer patients, including tumour survival and metastasis. Existing inhibitors of c-MET are clustered into types, depending on their site

MedChem paper of the month – Dec 20232023-12-21T15:04:17+00:00

Comp. Chem. Paper of the Month – Nov 2023

2023-11-14T13:34:38+00:00

Where Old Meets New: Advancements in AlphaFold with Some Help From Boltzmann   With the news saturated by the opportunities presented by AI, it’s easy to assume that AI alone holds all of the answers to our problems in computer-aided drug discovery. Indeed, the release of the ground-breaking protein structure prediction tool AlphaFold2, was an

Comp. Chem. Paper of the Month – Nov 20232023-11-14T13:34:38+00:00

Comp. Chem. Paper of the Month – April 2023

2023-04-14T14:31:20+00:00

Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules For this month’s computational chemistry paper of the month, we have chosen to highlight Jazzy, a python package to calculate the strengths of hydrogen-bonds. As we all know the importance of hydrogen bond donors and acceptors in the drug discovery process. Within

Comp. Chem. Paper of the Month – April 20232023-04-14T14:31:20+00:00

Med Chem – Paper of the Month – Apr 2023

2023-04-18T12:35:49+00:00

Discovery of the Potent and Selective MC4R Antagonist PF-07258669 for the Potential Treatment of Appetite Loss In this Drug Annotation, the discovery of an antagonist of the melanocortin-4 receptor (MC4R) and clinical candidate: PF-07258669 is described. MC4R signalling is responsible for the regulation of food intake via the suppression of appetite. Inhibition of this target

Med Chem – Paper of the Month – Apr 20232023-04-18T12:35:49+00:00

MCPairs v1.9 release, featuring CoreDesign®

2023-02-23T16:07:32+00:00

MCPairs v1.9 release is automatically available to all users: MCPairs version 1.9 went live last weekend. All Online users are upgraded to the new platform, and all new tools are available to everyone. On logging on you will notice the change in the layout of the dashboard as CoreDesign® has been added. This joins RuleDesign®

MCPairs v1.9 release, featuring CoreDesign®2023-02-23T16:07:32+00:00

Med Chem. Paper of the Month – Feb 2023

2023-02-22T15:19:52+00:00

Med Chem Paper of the Month – Jan/Feb 2023 This paper is a fine exhibition of multi-parameter optimisation that resulted in the candidate drug: MK-8189, currently undergoing phase II clinical trials for the treatment of schizophrenia. Discovery of MK-8189, a Highly Potent and Selective PDE10A Inhibitor for the Treatment of Schizophrenia   Schizophrenia is a debilitating

Med Chem. Paper of the Month – Feb 20232023-02-22T15:19:52+00:00

Comp. Chem. Paper of the Month – Dec 2022

2023-02-13T13:16:45+00:00

Exposing the Limitations of Molecular Machine Learning with Activity Cliffs J. Chem. Inf. Model. 2022, 62, 5938−5951 The title of this paper pulled in my attention immediately. The authors performed a comprehensive study of the ability of ML and DL to predict the larger drops in potency that can occur with small structural changes. Activity

Comp. Chem. Paper of the Month – Dec 20222023-02-13T13:16:45+00:00

Med Chem Paper of the Month – Dec 2022

2022-12-21T09:58:43+00:00

Design and Structural Optimization of Orally Bioavailable SOS1 Inhibitors for the Treatment of KRAS-Driven Carcinoma J. Med. Chem. 2022, 65, 15856−15877 This is a biased pick – we wrote a review on SOS1 inhibitors a year or so ago – so there you go [https://doi.org/10.1080/13543776.2021.1952984]. At the start of my career the pharma company I

Med Chem Paper of the Month – Dec 20222022-12-21T09:58:43+00:00

Med Chem Paper of the Month – Sept 2022

2022-09-27T15:06:34+00:00

Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors This month’s paper is an excellent piece of work from our friends at Genentech. It is noteworthy and commendable of the authors to publish this work, as the project did not produce a candidate drug. The authors describe the compounds and SAR to aid

Med Chem Paper of the Month – Sept 20222022-09-27T15:06:34+00:00
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