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Themed collection Molecular Pharmacology

20 items
Review Article

Emerging modes-of-action in drug discovery

An increasing focus on complex biology to cure diseases rather than merely treat symptoms is transforming how drug discovery can be approached, and expands the arsenal of drug modalities and modes-of-actions that can be leveraged to modify diseases.

Graphical abstract: Emerging modes-of-action in drug discovery
From the themed collection: Molecular Pharmacology
Review Article

Synthetic small-molecule RNA ligands: future prospects as therapeutic agents

RNA is one of the most intriguing and promising biological targets for the discovery of innovative drugs in many pathologies and various biologically relevant RNAs that could serve as drug targets have already been identified.

Graphical abstract: Synthetic small-molecule RNA ligands: future prospects as therapeutic agents
From the themed collection: Molecular Pharmacology
Open Access Review Article

Studies on spiro[4.5]decanone prolyl hydroxylase domain inhibitors

Structure–activity relationship and crystallographic studies on HIF prolyl hydroxylase inhibitors reveal spiro[4.5]decanones as useful templates for generation of potent and selective 2OG oxygenase inhibitors.

Graphical abstract: Studies on spiro[4.5]decanone prolyl hydroxylase domain inhibitors
From the themed collection: Molecular Pharmacology
Review Article

Progress toward allosteric ligands of metabotropic glutamate 7 (mGlu7) receptor: 2008–present

Metabotropic glutamate type 7 (mGlu7) receptor is a member of the group III family of mGlu receptors.

Graphical abstract: Progress toward allosteric ligands of metabotropic glutamate 7 (mGlu7) receptor: 2008–present
From the themed collection: Molecular Pharmacology
Review Article

Link between a high kon for drug binding and a fast clinical action: to be or not to be?

Simulations show under which conditions increasing a drug’s kon can bring about faster clinical action.

Graphical abstract: Link between a high kon for drug binding and a fast clinical action: to be or not to be?
From the themed collection: Molecular Pharmacology
Research Article

Photophysical properties and application in live cell imaging of B,B-fluoro-perfluoroalkyl BODIPYs

B,B-Fluoro-perfluoroalkyl BODIPYs 2 (R = CF3) and 3 (R = C2F5) exhibited higher photo- and chemical stability than B,B-difluoro-BODIPY 1.

Graphical abstract: Photophysical properties and application in live cell imaging of B,B-fluoro-perfluoroalkyl BODIPYs
From the themed collection: Molecular Pharmacology
Research Article

A MedChem toolbox for cereblon-directed PROTACs

A modular chemistry toolbox was developed for cereblon-directed PROTACs.

Graphical abstract: A MedChem toolbox for cereblon-directed PROTACs
From the themed collection: Molecular Pharmacology
Open Access Research Article

Fluoroquinolone-derived fluorescent probes for studies of bacterial penetration and efflux

Fluorescent probes derived from the fluoroquinolone antibiotic ciprofloxacin were synthesised using a Cu(I)-catalysed azide–alkyne cycloaddition (CuAAC) to link a ciprofloxacin azide derivative with alkyne-substituted green and blue fluorophores.

Graphical abstract: Fluoroquinolone-derived fluorescent probes for studies of bacterial penetration and efflux
From the themed collection: Molecular Pharmacology
Open Access Research Article

Anthranilic amide and imidazobenzothiadiazole compounds disrupt Mycobacterium tuberculosis membrane potential

Compounds 1 and 2 disrupt M. tuberculosis membrane potential and demonstrate bactericidal activity against non-replicating M. tuberculosis in pH 4.5 buffer.

Graphical abstract: Anthranilic amide and imidazobenzothiadiazole compounds disrupt Mycobacterium tuberculosis membrane potential
From the themed collection: Molecular Pharmacology
Research Article

Controlling cellular distribution of drugs with permeability modifying moieties

Anionic moieties can be used to control the cell-permeability of drugs and used to select the appropriate target identification method for phenotypic screening hits.

Graphical abstract: Controlling cellular distribution of drugs with permeability modifying moieties
From the themed collection: Molecular Pharmacology
Research Article

Mechanism of thienopyridone and iminothienopyridinedione inhibition of protein phosphatases

Thienopyridone and iminothienopyridinedione inhibit protein phosphatases through a redox mechanism to oxidise the active site cysteine.

Graphical abstract: Mechanism of thienopyridone and iminothienopyridinedione inhibition of protein phosphatases
From the themed collection: Molecular Pharmacology
Research Article

4′-Phosphopantetheine and long acyl chain-dependent interactions are integral to human mitochondrial acyl carrier protein function

Insights into the role of 4′-PP- and long acyl chains-dependent interactions in human ACPM function.

Graphical abstract: 4′-Phosphopantetheine and long acyl chain-dependent interactions are integral to human mitochondrial acyl carrier protein function
From the themed collection: Molecular Pharmacology
Open Access Research Article

Design and characterization of a heterocyclic electrophilic fragment library for the discovery of cysteine-targeted covalent inhibitors

A fragment library of electrophilic small heterocycles was characterized through cysteine-reactivity and aqueous stability tests that suggested their potential as covalent warheads.

Graphical abstract: Design and characterization of a heterocyclic electrophilic fragment library for the discovery of cysteine-targeted covalent inhibitors
From the themed collection: Molecular Pharmacology
Research Article

Vinyl sulfonamide synthesis for irreversible tethering via a novel α-selenoether protection strategy

A novel strategy for the synthesis of vinyl sulfonamide fragments for application to irreversible protein tethering.

Graphical abstract: Vinyl sulfonamide synthesis for irreversible tethering via a novel α-selenoether protection strategy
From the themed collection: Molecular Pharmacology
Research Article

Exploring the effectiveness of novel benzimidazoles as CB2 ligands: synthesis, biological evaluation, molecular docking studies and ADMET prediction

Herein we continued our previous work on the development of CB2 ligands, reporting the design and synthesis of a series of benzimidazole-containing derivatives that were explored as selective CB2 ligands.

Graphical abstract: Exploring the effectiveness of novel benzimidazoles as CB2 ligands: synthesis, biological evaluation, molecular docking studies and ADMET prediction
From the themed collection: Molecular Pharmacology
Research Article

Probing the hras-1Y i-motif with small molecules

Identification of HRAS i-motif-binding small molecules.

Graphical abstract: Probing the hras-1Y i-motif with small molecules
From the themed collection: Molecular Pharmacology
Research Article

Structure activity relationship of 2-arylalkynyl-adenine derivatives as human A3 adenosine receptor antagonists

Adenines that incorporate known agonist affinity-enhancing substituents are A3AR-selective antagonists.

Graphical abstract: Structure activity relationship of 2-arylalkynyl-adenine derivatives as human A3 adenosine receptor antagonists
From the themed collection: Molecular Pharmacology
Research Article

Novel tricyclic glycal-based TRIB1 inducers that reprogram LDL metabolism in hepatic cells

Increased expression of the Tribbles pseudokinase 1 gene (TRIB1) is associated with lower plasma levels of LDL cholesterol and triglycerides, higher levels of HDL cholesterol and decreased risk of coronary artery disease.

Graphical abstract: Novel tricyclic glycal-based TRIB1 inducers that reprogram LDL metabolism in hepatic cells
From the themed collection: Molecular Pharmacology
Research Article

Development of a [68Ga]-ghrelin analogue for PET imaging of the ghrelin receptor (GHS-R1a)

A 68Ga-labelled ghrelin(1-19) analogue is described as a high affinity peptide for ghrelin receptor PET imaging using a sequence derived directly from the endogenous ligand, yet modified for improved stability.

Graphical abstract: Development of a [68Ga]-ghrelin analogue for PET imaging of the ghrelin receptor (GHS-R1a)
From the themed collection: Molecular Pharmacology
Research Article

A zwitterionic near-infrared dye linked TrkC targeting agent for imaging metastatic breast cancer

A probe that conjugated a TrkC targeting agent with a zwitterionic near-infrared dye was reported for imaging of metastatic breast cancer.

Graphical abstract: A zwitterionic near-infrared dye linked TrkC targeting agent for imaging metastatic breast cancer
From the themed collection: Molecular Pharmacology
20 items

About this collection

This ongoing themed collection, Guest Edited by Dr Lyn Jones (Jnana Therapeutics) and Dr Sara Buhrlage (Dana-Farber Cancer Institute), highlights the latest advances in the understanding of drug action at the molecular level and the exploration and application of emerging pharmacological modalities. 
The collection will cover a wide range of topics including target and off-target identification and validation, biomarker and target engagement studies, advances in omic profiling technologies, systems/network pharmacology, molecular studies of drug-drug interactions and emerging small molecule therapeutic modalities.
Articles in this themed issue will be added below as soon as possible after they are published. 
Please return to this page frequently to see the collection grow.

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