☆ 4.7 Review

Computer-Assisted Design of Peptide-Based Radiotracers

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2023)

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Computational Chemistry for the Identification of Lead Compounds for Radiotracer Development

Chia-Ju Hsieh et al.

Summary: The use of computer-aided drug design (CADD) in radiotracer development is increasing. Traditional CADD methods, such as virtual screening and optimization, have been successfully used in drug discovery programs. This review discusses the use of virtual screening for hit identification, filtering and culling hits for in vitro assays, optimizing hit compounds for PET, and the latest techniques in CADD employing machine learning.

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Review Biochemistry & Molecular Biology

Peptide-based positron emission tomography probes: current strategies for synthesis and radiolabelling

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Summary: In medical imaging, techniques such as magnetic resonance imaging, contrast-enhanced computerized tomography, and positron emission tomography (PET) are extensively used for disease diagnosis and treatment. Peptide-based targeting PET probes, which are small peptides with high affinity and specificity to specific cellular and tissue targets, can be easily modified and radiolabelled with various radionuclides, making them attractive for clinical use. This review focuses on recent technologies in synthesizing and radiolabelling peptide PET-based molecular probes with the most commonly used radioisotopes in 2022.

RSC MEDICINAL CHEMISTRY (2023)

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Why 90 % of clinical drug development fails and how to improve it?

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Summary: Despite the implementation of many successful strategies, the majority of clinical drug development fails. This study suggests that current drug optimization strategies overlook tissue exposure/selectivity, leading to misleading drug candidate selection and impacting clinical efficacy/toxicity balance. The proposed structure-tissue exposure/selectivity-activity relationship (STAR) classification system aims to improve drug optimization and enhance the success rate of clinical drug development.

ACTA PHARMACEUTICA SINICA B (2022)

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Review Chemistry, Medicinal

Recent progress in the imaging of c-Met aberrant cancers with positron emission tomography

Giuseppe Floresta et al.

Summary: This article reviews the recent progress in imaging c-Met aberrant cancers with PET. The development of PET probes with different sizes (HGF, antibodies, anticalines, peptides, and small molecules), labeled with different radionuclides, is emphasized. The goal of this review is to report all preclinical imaging studies based on PET imaging for in vivo diagnosis of c-Met in oncology, in order to support the design of novel and more effective PET probes for in vivo evaluation of c-Met.

MEDICINAL RESEARCH REVIEWS (2022)

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Article Medicine, Research & Experimental

Investigation of Tumor Cells and Receptor-Ligand Simulation Models for the Development of PET Imaging Probes Targeting PSMA and GRPR and a Possible Crosstalk between the Two Receptors

Christos Liolios et al.

Summary: Prostate-specific membrane antigen (PSMA) and gastrin-releasing peptide receptor (GRPR) have been used as targets for molecular imaging and therapy of prostate and breast cancer. The study synthesized and tested three bioconjugate probes and found that PSMA overexpression resulted in increased binding of the probes to PCa and BCa cells, especially in those already expressing GRPR. Biomolecular simulations provided valuable information about the molecular mechanisms involved in the interactions of the probes with PSMA and GRPR.

MOLECULAR PHARMACEUTICS (2022)

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Article Biochemistry & Molecular Biology

Evaluation of Phage Display Biopanning Strategies for the Selection of Anti-Cell Surface Receptor Antibodies

Nadya Panagides et al.

Summary: Monoclonal antibodies (mAbs) are highly successful and versatile protein-based pharmaceutical products used in the treatment of various pathological conditions. The quality and presentation format of the antigen play a crucial role in the selection outcomes of mAbs against membrane protein targets. Soluble presentation of a type I membrane protein is more advantageous in isolating functional mAbs with higher sequence diversity.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2022)

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Targeting integrin αvβ6 with gallium-68 tris (hydroxypyridinone) based PET probes

Giuseppe Floresta et al.

Summary: Expression of the cellular transmembrane receptor alpha v beta 6 integrin is mainly found in malignant epithelial cells and could be a promising target for tumor imaging and therapy. This study successfully synthesized and labeled two Ga-68 PET probes for in vivo monitoring of alpha v beta 6 integrin. The probes showed high radiochemical yield and binding affinity in cellular studies.

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Hidefumi Mukai et al.

Summary: Recent progress in radiolabeling of macro- and middle-sized molecular probes has expanded the possibilities of using PET molecular imaging in drug development and therapeutic evaluation, improving the accuracy of target recognition and patient selection. Current focus is on immuno-PET and related technologies.

NUCLEAR MEDICINE AND BIOLOGY (2021)

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Development of a Low-Molecular-Weight Aβ42 Detection System Using a Enzyme-Linked Peptide Assay

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Summary: Alzheimer's disease is a degenerative brain disease that is becoming more common due to the aging population. Early diagnosis is crucial as it is currently incurable. The concentration of A beta 42 in the cerebrospinal fluid is a well-studied biomarker for AD, and a peptide enzyme-linked assay developed in the study showed high specificity.

BIOMOLECULES (2021)

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Article Biochemistry & Molecular Biology

NHS-Functionalized THP Derivative for Efficient Synthesis of Kit-Based Precursors for 68Ga Labeled PET Probes

Giuseppe Floresta et al.

Summary: The hexadentate tris(3,4-hydroxypyridinone) ligands have been developed for new applications as bifunctional chelators for the radiometal gallium-68 (Ga-68), with THP-peptide bioconjugates showing excellent complexing abilities with Ga-68. This makes them suitable for the synthesis of Ga-68 PET radiopharmaceuticals.

BIOMEDICINES (2021)

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Article Chemistry, Medicinal

Dipeptide inhibitors of the prostate specific membrane antigen (PSMA): A comparison of urea and thiourea derivatives

Jennifer D. Young et al.

Summary: The study found that replacing the zinc-coordinating urea group with a thiourea group does not improve the affinity of compounds for GCP(II)/PSMA.

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Preclinical Evaluation of [64Cu]NOTA-CP01 as a PET Imaging Agent for Metastatic Esophageal Squamous Cell Carcinoma

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Summary: A new method for visualizing CXCR4 expression in metastatic ESCC was developed, with experimental data confirming its high target engagement for CXCR4-positive ESCC.

MOLECULAR PHARMACEUTICS (2021)

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Review Biochemistry & Molecular Biology

In Silico Modelling in the Development of Novel Radiolabelled Peptide Probes

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CURRENT MEDICINAL CHEMISTRY (2020)

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Article Multidisciplinary Sciences

FABP4 inhibitors 3D-QSAR model and isosteric replacement of BMS309403 datasets

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DATA IN BRIEF (2019)

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Review Biochemistry & Molecular Biology

Immunogenicity in Protein and Peptide Based-Therapeutics: An Overview

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CURRENT PROTEIN & PEPTIDE SCIENCE (2018)

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Structural studies on radiopharmaceutical DOTA-minigastrin analogue (CP04) complexes and their interaction with CCK2 receptor

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JOURNAL OF NUCLEAR MEDICINE (2017)

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PLOS ONE (2015)

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RSC ADVANCES (2015)

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AAPS JOURNAL (2015)

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Signal loss due to oligomerization in ELISA analysis of amyloid-beta can be recovered by a novel sample pre-treatment method

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METHODSX (2015)

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EUROPEAN JOURNAL OF ORGANIC CHEMISTRY (2014)

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Article Chemistry, Medicinal

64Cu-Labeled Somatostatin Analogues Conjugated with Cross-Bridged Phosphonate-Based Chelators via Strain-Promoted Click Chemistry for PET Imaging: In silico through in Vivo Studies

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JOURNAL OF MEDICINAL CHEMISTRY (2014)

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Review Pharmacology & Pharmacy

Pharmacokinetics and Pharmacokinetic-Pharmacodynamic Correlations of Therapeutic Peptides

Lei Diao et al.

CLINICAL PHARMACOKINETICS (2013)

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Review Biochemical Research Methods

Minimizing immunogenicity of biopharmaceuticals by controlling critical quality attributes of proteins

Miranda M. C. van Beers et al.

BIOTECHNOLOGY JOURNAL (2012)

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Article Biochemistry & Molecular Biology

Surflex-Dock: Docking benchmarks and real-world application

Russell Spitzer et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2012)

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Article Chemistry, Medicinal

Design, Synthesis, and Functionalization of Dimeric Peptides Targeting Chemokine Receptor CXCR4

Oliver Demmer et al.

JOURNAL OF MEDICINAL CHEMISTRY (2011)

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Target-specific delivery of peptide-based probes for PET imaging

Kai Chen et al.

ADVANCED DRUG DELIVERY REVIEWS (2010)

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Article Biochemistry & Molecular Biology

Ligand docking and binding site analysis with PyMOL and Autodock/Vina

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JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2010)

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Gregory A. Watkins et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2009)

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Masanori Onda

CURRENT DRUG TARGETS (2009)

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Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

Richard A. Friesner et al.

JOURNAL OF MEDICINAL CHEMISTRY (2006)

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Article Biochemistry & Molecular Biology

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Article Radiology, Nuclear Medicine & Medical Imaging

Affinity profiles for human somatostatin receptor subtypes SST1-SST5 of somatostatin radiotracers selected for scintigraphic and radiotherapeutic use

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EUROPEAN JOURNAL OF NUCLEAR MEDICINE (2000)

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