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ChemMedChem

Artikel

Estimation of In Vivo Half‐Life From In Vitro Metabolic Clearance, Protein, and Cell Membrane Affinity Assays

von Carla Pou et al.

· 21.08.2025

Predicting in vivo half-life is possible using a function taking microsomal clearance, affinity for human serum albumin, and artificial cell membranes into account. It allows a quick prediction of compound properties during the early phase of medici...

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Programmed Targeted Protein Degradation Via DNA Modularized Ligand

von Xuanming Teng et al.

· 21.08.2025

GA: The targeted degradation of proteins through the proteasome pathway is achieved by utilizing the programmability of DNA, known as DNA-Proteolysis targeting chimera. This approach involves the construction of two DNA strands conjugated with separ...

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Antiprotozoal Activity of Highly Substituted Pyrazole and Pyrimidine Derivatives

von Matteo Lusardi et al.

· 21.08.2025

Based on previously identified antimalarial agents, a series of highly substituted pyrazole and pyrimidines derivatives has been synthesized and tested for antiplasmodial and antileishmanial activity. Selected derivatives show promising antiplasmodi...

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Targeting Ubiquitin‐Specific Protease 7 with Novel 5‐Amino‐Pyrazole Inhibitors: Design, Synthesis, and Biological Evaluation

von Matteo Lusardi et al.

· 21.08.2025

Ubiquitin-specific protease 7 (USP-7) is a novel target for anticancer therapy. To further extend the structure–activity relationships of the previously USP-7 inhibitor STIRUR-41, a library of 5-aminopyrazoles is reported. 1d shows a potency compara...

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Beyond Docking: A Multitier Computational Pipeline for USP7 Inhibitor Optimization

von Ehsan Sayyah et al.

· 21.08.2025

A multitier computational strategy discovers potential USP7 inhibitors using similarity-based virtual screening, physics-driven molecular simulations, binding free energy estimations, binary QSAR modeling, and steered molecular dynamics analysis. Th...

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Synthesis and Characterization of Sulfonamide‐Imidazole Hybrids with In Vitro Antiproliferative Activity against Anthracycline‐Sensitive and Resistant H69 Small Cell Lung Cancer Cells

von Valdas Vainauskas et al.

· 21.08.2025

Herein, a series of S- and N-substituted imidazole-sulfonamide hybrids bearing aliphatic and aromatic fragments for their antiproliferative activities against both wild-type and multidrug-resistant human lung carcinoma cell lines are synthesized and...

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Design, Synthesis, Antimicrobial, and Antimalarial Evaluation of Quinoline Hydrazone Derivatives: Insight through Density Functional Theory Analysis, Molecular Docking, and Absorption, Distribution, Metabolism, Excretion, and Toxicity Predictions

von Sangeeta Verma et al.

· 21.08.2025

The development of new molecules with different modes of action is a promising approach to improve antimicrobial activity against infectious microbial strains and also help to bypass mutated or resistant drug targets. In this context, current resear...

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Platinum N‐Heterocyclic Carbene Complexes Based on Adenosine: Synthesis and Antiproliferative Studies

von Giulia Orsini et al.

· 21.08.2025

Platinum complexes bearing C2-bound adenosine show a significant increase in cytotoxic activity relative to the nucleoside analogue drug 2-chloroadenosine, particularly in cell lines for which adenosine receptors are overexpressed. Platinum(II) N-h...

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Discovery of a Phenylalanine‐Derived Natural Compound as a Potential Dual Inhibitor of MDM2 and MDMX

von Ja Young et al.

· 21.08.2025

P5, a novel phenylalanine-derived compound isolated from Micromonospora sp. MS-62, exhibits dual inhibition of MDM2 and MDMX. Molecular docking and SPR confirm its nanomolar affinity and sustained binding kinetics. In silico profiling reveals high G...

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Inhibition of the Clathrin Terminal Domain—Amphiphysin Protein–Protein Interaction. Probing the Pitstop 2 Aromatic Moiety

von Kate Prichard et al.

· 21.08.2025

Pitstop 2 binds to the clathrin terminal domain. This work explores the nature of the benzylidene moiety, R. The synthesis of 56 novel analogues reveals enhanced potency of a multiple analogues, with catechol-free 2,3-dihydroxybenzo[b][1,4]dioxone (...

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Front Cover: Inhibition of the Clathrin Terminal Domain—Amphiphysin Protein–Protein Interaction. Probing the Pitstop 2 Aromatic Moiety (ChemMedChem 16/2025)

von Kate Prichard et al.

· 21.08.2025

This image shows the crystal structure of the N-terminal domain of clathrin with the known binding sites colored. Site 1 is colored in yellow, and an expansion shows a stylized image of the predicted binding of a Pitstop 2 analogue compared to Pitst...

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Recent Progress of Antibacterial Carbon Dots Prepared from Marketed Small Molecule Antibacterial Drugs

von Yuequan Wu et al.

· 21.08.2025

This review focuses on the antimicrobial carbon dots prepared by commercially available small molecule antimicrobial drugs, introduces their preparation, biocompatibility and antimicrobial activity, covers 5 types of drug derived carbon dots such as...

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Tetrahydrofuran‐Containing Pharmaceuticals: Targets, Pharmacological Activities, and their SAR Studies

von Yiou Mei et al.

· 21.08.2025

This review offers a comprehensive overview of THF-containing pharmaceuticals, focusing on pharmacological activities, SAR ( structure-activity relationship), and clinical uses. It highlights THF's role in improving solubility, bioavailability, and ...

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The Role of Five‐Membered Aromatic Rings Containing N and O in Modulating Bile Acid Receptors: An Overview

von Claudia Finamore et al.

· 21.08.2025

Several derivatives incorporating five-membered aromatic rings are described in this review as bile acid receptor modulators, particularly targeting the farnesoid X receptor and the G protein-coupled bile acid receptor 1. This review provides a comp...

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Recent Insights in Multi‐Target Drugs in Pharmacology and Medicinal Chemistry

von Sadık Hüseyin et al.

· 01.09.2025

This review highlights the rationale behind multitarget drug design as a promising approach to address diseases with complex etiologies. By combining pharmacophore features from different single-target drugs, multitarget compounds can interact with ...

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Sulfonamide Inhibitors of Amyloid Aggregation: A Promising Path against Neurodegenerative Diseases

von Joana Smirnovienė et al.

· 01.09.2025

Sulfonamides, a versatile class of compounds, show promise in inhibiting protein amyloid aggregation, a key process in diseases like Alzheimer's and Parkinson's. Studies reveal that sulfonamide derivatives can reduce fibril formation and stabilize n...

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Investigating the Mechanism of Antimycobacterial and Antiproliferative Activity of (E)‐N’‐Benzylidenepyrazine‐2‐Carbohydrazides and their Derivatives

von Priam‐Amedeo Houngbedji et al.

· 29.08.2025

(E)-N’-benzylidenepyrazine-2-carbohydrazides with 2-OH, 2,3-diOH or 2,4-diOH substitution exhibit good antimycobacterial or antiproliferative activity, and iron chelation similar to salicylaldehyde isonicotinoyl hydrazone (SIH). A series of 33 (E)-...

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Discovery of Pyrazolo[1, 5‐a]pyrimidine‐Based Selective HDAC6 Inhibitors with Broad‐Spectrum Antiproliferative Activity

von Wendeng Li et al.

· 29.08.2025

Privileged pyrazolo[1, 5-a]pyrimidine scaffold is introduced as the cap moiety of selective histone deacetylase 6 inhibitors. Compound 8e demonstrated the most potent activity with IC₅₀ of 3.84 nM, anda 412-fold selectivity to histone deacetylase 1....

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Multifunctional Responsive Gas‐Releasing Metal Organic Framework Nanoplatform for Tumor Therapy Application

von Yue Meng et al.

· 28.08.2025

Innovative metal-organic framework (MOF) nanoplatforms address key challenges in gas therapy for tumors, enhancing controlled delivery of therapeutic gases (NO, CO, H₂S, H₂, O₂). MOFs leverage high surface area and tunable pores to optimize gas-rele...

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Cytotoxicity of Atropisomeric [1,1′‐Binaphthalene]‐2,2′‐Diamines (BINAM) and Analogs in Human Cancer Cells: Enantioselectivity, Structure–Activity Relationships, and Mechanism

von Malte Eichelbaum et al.

· 27.08.2025

It is reported for the first time that atropisomeric (R)-[1,1^′-binaphthalene]-2,2^′-diamine (R-BINAM, 1(R)), but not (S)-[1,1^′-binaphthalene]-2,2^′-diamine (S-BINAM, 1(S)), is a moderately potent spindle poison, causing antiproliferation, depolymeriza...

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Quantum Osteoimmunology: A Paradigm Shift in Understanding and Influencing Bone–Immune Crosstalk

von Rachel Wei et al.

· 27.08.2025

This article introduces quantum osteoimmunology as a novel field exploring how quantum phenomena may shape immune–skeletal signaling. This approach could help resolve longstanding questions in osteoimmune physiology and pathology. It also highlights...

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Covalent Conjugation Strategies for Antifungal Agents: Synthetic Approaches and Therapeutic Potential

von Andrzej S. et al.

· 25.08.2025

Recent advances in covalent conjugation strategies for antifungal agents are reviewed, focusing on modified azoles, echinocandins, and polyene macrolides, as well as hybrids with coumarins, steroids, and peptides. Synthetic approaches and biological...

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Novel Pyrazolo [1,5‐a]−1,3,5‐Triazine Derivatives as CDK7 Inhibitors: Synthesis and Biological Insights in Pancreatic Ductal Adenocarcinoma Models

von Daniela Carbone et al.

· 25.08.2025

Pyrazolo [1,5-a]−1,3,5-triazine derivatives efficiently synthesized showed remarkable cytotoxicity and inhibition of cell migration in PDAC models. They induced apoptosis, upregulated apoptotic gene expression, and disrupted the cell cycle, signific...

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Design and Synthesis of Sulfonium and Selenonium Derivatives Bearing 3′,5′‐O‐Benzylidene Acetal Side Chains as Potent α‐Glucosidase Inhibitors

von Yaojia Li et al.

· 25.08.2025

This study designs and synthesizes a series of sulfonium, selenonium, and ammonium salts featuring benzylidene acetal-modified side chains with 3′R stereochemistry. As potent α-glucosidase inhibitors. In vitro α-glucosidase inhibition assays identif...

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Towards the Use of Metabolic Volatiles in Breath for Determining Drug Response: Gstachamine as an Unlabeled Substrate to Measure CYP3A4 Activity

von Valentina Stock et al.

· 25.08.2025

A potential substrate, gstachamine, was engineered for a future CYP3A4 assay. HepG2 cell clones overexpressing CYP3A4 were used to investigate both liquid and headspace phases after incubation. A specific N-dealkylated metabolite and butanone were d...

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A Warm Welcome to MedChem: The Frontiers in Medicinal Chemistry 2025

von Matthias Schiedel et al.

· 25.08.2025

The Frontiers in Medicinal Chemistry (FiMC) is the largest international Medicinal Chemistry conference in Germany and took place from April 1^st to 4^th, 2025, in Erlangen. This conference report summarizes the highlights of the 41 lectures and 91 po...

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Reaction of N‐Ferrocenylcarbamates with Nitric Oxide: An Application for Detection of Inflammatory Sites In Vivo

von Roman Selin et al.

· 22.08.2025

Nitric oxide induces decomposition of electron-deficient aminoferrocene drugs 4 with formation of oxime 7, which is derived from the upper cyclopentadienyl ligand. Drugs 4 are not responsive to hydrogen peroxide. Based on the latter reaction, the fl...

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Exploration of the Tertiary Amide Chemical Space of Dolastatin 15 Analogs Reveals New Insights into the Structure–Anticancer Activity Relationship

von Dayana Alonso et al.

· 22.08.2025

GA: Parallel libraries of novel dolastatin-like compounds with different N-substituted backbones were produced using multicomponent reactions as diversification steps. Evaluation of the antiproliferative effect in a variety of cancer cells proved th...

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C1′‐Branched Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium Falciparum 6‐Oxopurine Phosphoribosyltransferase

von Jan Frydrych et al.

· 22.08.2025

Novel C1'-branched acyclic nucleoside phosphonates were synthesized. The compounds are inhibitors of Plasmodium falciparum and human 6-oxopurine phosphoribosyltransferases with K _i values as low as 0.4 µM and 0.7 µM, respectively. A phosphonodiamida...

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Modified Nucleotides in Bifunctional Antisense Oligonucleotides: Exploring their Anticancer Potential

von Natalia Bartyś et al.

· 21.08.2025

bifunctional antisense oligonucleotide (BASO) modulates pre-mRNA splicing by using two functional domains: an antisense region that hybridizes with target sequences and a regulatory region that recruits splicing factors, thereby influencing mRNA pro...

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Design and Synthesis of Potent Ridaifen Analogues: Evaluation as Anticancer, 20S Proteasomal Inhibitors, and Antiebola Virus Agents through In vitro and In Silico Studies

von Merna A. et al.

· 21.08.2025

Novel Ridaifen analogs were designed and synthesized to target the proteasome. Structure-activity relationship studies revealed potent and selective inhibition of the CT-L and PGPH activities, offering promising scaffolds for anticancer drug develop...

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Development of a Tumor Microenvironment‐Responsive Co(III)‐Chrysin Prodrug: Synthesis, Activation Profiling, and In Vitro Antineoplastic Evaluation

von Prakash Shukla et al.

· 20.08.2025

A drug masking strategy involves designing molecular systems that remain inactive until reaching the target site, where specific stimuli trigger activation, thereby minimizing off-target effects, reducing systemic toxicity, and enhancing therapeutic...

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Novel Indoline Derivatives as Ferroptosis Inhibitors: Synthesis, Biological Evaluation, and Mechanistic Investigation

von Wen Shao et al.

· 18.08.2025

A novel series of indoline derivatives is synthesized and evaluated for their ferroptosis inhibitory activity. Among them, compound 14 exhibits potent ferroptosis inhibition in HT22 cells by acting as a novel radical-trapping antioxidant and demonst...

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Protocatechuic Acid and its Derivatives: Synthesis, Antioxidant Properties, and Potential In Vivo Wound Healing Applications

von Sumit Maurya et al.

· 18.08.2025

Protocatechuic acid derivatives in wound healing: Seven protocatechuic acid derivatives are synthesized using click chemistry, amine coupling, and esterification reactions. All the synthesized compounds along with the starting compound are screened ...

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Design of a Long‐Acting Morphine Prodrug for Safe Opioid Delivery

von Hana S. et al.

· 18.08.2025

This study presents a carboxylesterase enzyme 2 (CES2)-activated morphine prodrug that forms a subcutaneous depot and enables sustained prodrug release. In rats, the prodrug maintained steady plasma levels of morphine over 72 h without inducing opio...

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Harnessing Chemical Diversity to Disarm Bacterial Communication for 25 Years: Natural Products, Repurposed Drugs, Peptides, and Synthetic Quorum Sensing Inhibitors

von Tung Truong‐Thanh et al.

· 13.08.2025

This paper presents a comprehensive review of quorum sensing (QS) inhibitors, including natural products, peptides, repurposed drugs, and synthetic compounds. It critically analyzes key advances from 2000 to 2025, highlighting structure–activity rel...

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Benzoxazoles Derived from Eugenol as Potential Agents against Arboviruses: Synthesis, Antiviral Studies, and Mechanistic Insights

von Vinícius Augusto et al.

· 12.08.2025

The antiviral potential of new phenylpropanoid-based benzoxazoles is evaluated. Compound 16 shows strong and selective activity against arboviruses, especially Chikungunya virus, outperforming ribavirin and amantadine. It is highly effective in cell...

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Adamantane‐Appended 1,2,3‐Triazole Hybrids: Synthesis and α‐Glucosidase Inhibition Studies through Experimental and In Silico Approach

von Aman Ragshaniya et al.

· 12.08.2025

GA: Inspired from biological activity backgrounds of adamantane (Saxagliptin, antidiabetic drug) and 1,2,3-triazoles, a new library of adamantane-appended 1,2,3-triazole is synthesized and evaluated for its antidiabetic potential. Various linkers ar...

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Identification of a New Interesting BAG3 Modulator Able to Disrupt Cancer‐Related Pathways

von Dafne Ruggiero et al.

· 12.08.2025

Compound 2, identified through in-house screening and derived from SP18, exhibits high affinity for BAG3, as demonstrated by Surface Plasmon Resonance and docking studies. It induces a dose-dependent proapoptotic response in HeLa cells, evidenced by...

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Exploration of Fluorinated Pyrazolidine‐3,5‐Diones for Positron Emission Tomography Imaging of the P2Y12 Receptor in the Central Nervous System

von E. Johanna et al.

· 12.08.2025

Fluorinated pyrazolidine-3,5-dione derivatives are developed with the aim to find a positron emission tomography (PET) tracer candidate for imaging of the P2Y₁₂ receptor. All compounds show nanomolar affinity. One compound is radiolabeled with ¹⁸F a...

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Cytotoxic, Antibacterial, and in Silico Pks13 Inhibitory Properties of Indole‐Coupled Dihydrobenzo[c]phenanthridines

von Reyna Martha et al.

· 11.08.2025

The benzylic indolization of dihydrosanguinarine (1) and dihydrochelerythrine (2) allows us to develop the promising antimycobacterial hit 1a, having a greater than tenfold selectivity in killing Mycobacterium tuberculosis compared to human cells (H...

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Development of Novel Anticancer Pyrazolopyrimidinones Targeting Glioblastoma

von Kate Byrne et al.

· 08.08.2025

Pyrazolo[1,5-α]pyrimidinone derivatives exhibit selective cytotoxicity towards glioblastoma (GBM) cells over noncancerous cells. Structure–activity relationship studies identifies a lead compound with significant cytotoxicity activity, inducing apop...

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Structure‐Based Drug Design of Novel Heterocyclic Scaffolds as TgCDPK1 Inhibitors

von Anoopjit Singh et al.

· 08.08.2025

A) Structures and biological activity of 44 pyrazolopyrimidine, CZ29 pyrrolopyrimidine, and 3 quinoline Amide TgCDPK1 inhibitors; B) Compounds 44, CZ29 (analog), and 3 bound to TgCDPK1. Toxoplasmosis is caused by the protozoan parasite Toxoplasma g...

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Progress In the Chemistry and Pharmacology of Isoindolin‐1‐One Scaffolds

von Kunal Madaan et al.

· 06.08.2025

Isoindolin-1-one scaffolds represent a significant class of compounds in medicinal chemistry. This review provides a comprehensive overview of recent advancements in synthetic methodologies for isoindolin-1-one compounds. This review also discusses ...

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Design, Synthesis, and Antiproliferative and Apoptotic Assessment of Triazole‐Tethered Bisnaphthalimide‐Isatin Hybrids on Triple‐Negative Breast and Prostate Cancers

von Asif Raza et al.

· 28.07.2025

Triazole-tethered bisnaphthalimide-isatin hybrids are synthesized and evaluated against triple-negative breast cancer and prostate cancer. This study reports the design, synthesis, and biological evaluation of 1H-1,2,3-triazole-tethered bisnaphthal...

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A Short Peptide Inhibitor of Measles Virus Fusion Protein that Exhibits Passive Membrane Permeability

von Ziwei Gao et al.

· 28.07.2025

Fusion inhibitor peptide (FIP) is a known small peptide capable of inhibiting measles virus infection. In this study, hydrogen-to-fluorine substitution is employed to derivatize FIP, leading to the discovery of a FIP derivative with enhanced inhibit...

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Unveiling Benzoxazole‐Substituted Thiazolyl‐Pyrazole Derivatives Inducing Apoptosis by Targeting β‐Tubulin and Caspase‐3

von Burak Kuzu et al.

· 28.07.2025

BP(1-6) compounds designed from Benzoxazole and Thiazolyl-Pyrazole scaffolds exhibited potent antitubulin and caspase-3 activity in MDA-MB-231 cells. BP-6 notably triggered apoptosis and disrupted cell proliferation. Docking studies validated strong...

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Cyclin‐dependent Kinase 11: Cellular Functions and Potential Therapeutic Applications

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NSAIDS AS MODULATORS OF CATION CHANNELS: FENAMATES REPURPOSING IN CHANNELOPATHIES

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Development of Carborane‐Based Halogenated Naphthyridinone‐Analogues as Cannabinoid Receptor Type 2 (CB2R) Ligands

von Lea Ueberham et al.

· 25.06.2025

There is no suitable radioligand for positron emission tomography imaging of CB₂R overexpression for routine clinical usage. Herein, the synthesis, characterization, binding affinity, and docking studies of carborane-based halo-substituted naphthyri...