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46 pages, 405 KiB

Open AccessConference Report

Abstracts of the 3rd International Electronic Conference on Biomedicines

by Felipe Fregni, Allan Stensballe, Georgia Levidou and Serafino Fazio

Med. Sci. Forum 2025, 34(1), 1; https://doi.org/10.3390/msf2025034001 - 13 Jun 2025

Viewed by 438

Abstract

The 3rd International Electronic Conference on Biomedicines (ECB 2025) was an online event held from 12 to 15 May 2025, by the journal Biomedicines MDPI. The goal of this conference was to enable scientists to present their latest research in the field of biomedicines, especially on the discovery and characterization of new therapeutic targets in the era of precise medicine, and to engage in discussions with the scientific community worldwide. Recent advances in biomedical research have provided an advanced insight into the biological background of human disease, setting the groundwork for the development of new therapeutic strategies. The agenda of the conference included, but was not limited to, the following topics: insulin resistance or hyperinsulinemia; immunotherapy and adverse effects; the tumor microenvironment; the immune system, tumor immunology, and autoimmune disease; biomedicine in cardiovascular diseases; diabetes, obesity, and metabolic diseases; gene therapy and gene editing; rare diseases; and molecular mechanisms of neurodegeneration. Full article

6 pages, 570 KiB

Open AccessProceeding Paper

In Silico Evaluation of Diketopiperazine (DPK) Derivatives as Potential Inhibitors for G-Protein-Coupled Receptors (GPCRs)

by Sepideh Jafari and Joanna Bojarska

Med. Sci. Forum 2025, 34(1), 2; https://doi.org/10.3390/msf2025034002 - 19 Jun 2025

Viewed by 278

Abstract

G-protein-coupled receptors (GPCRs) are a group of various membrane proteins that mediate essential physiological processes by translating extracellular signals into intracellular responses. The β2-Adrenergic Receptor (β2-AR), a key GPCR, plays a critical role in smooth muscle relaxation, bronchodilation, and cardiovascular function, making it an important therapeutic target for diseases such as asthma and hypertension. Diketopiperazines (DPKs), as cyclic peptides, have shown promise as scaffolds for inhibiting protein interactions and modulating receptor activity, offering a potential alternative to traditional small-molecule inhibitors with reduced side effects. In this study, five DPK derivatives were selected from the PubChem database and evaluated for their binding affinity to the 3D structure of β2-AR (PDB ID = 2RH1) through molecular docking studies using AutoDock 4.6 and MGLTools. The binding energy and hydrogen bond formation of each compound were evaluated to determine their interaction efficiency. Among the compounds, tryptophan-proline diketopiperazine (compound 3) exhibited the highest binding affinity with a binding energy of −5.89 kcal/mol. This enhanced interaction is attributed to the aromatic nature of tryptophan, which promotes strong π-π stacking interactions, and the rigidity of proline, which optimally fits within the receptor’s binding pocket. Hydrophobic interactions further stabilized the complex. These findings highlight compound 3 as a promising β2-AR modulator, providing valuable insights for the design of peptide-based inhibitors targeting β2-AR-related pathologies. Full article

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7 pages, 813 KiB

Open AccessProceeding Paper

Molecular Docking Study of Natural Compounds Targeting the β2-Adrenergic Receptor (β2-AR)

by Sepideh Jafari and Joanna Bojarska

Med. Sci. Forum 2025, 34(1), 3; https://doi.org/10.3390/msf2025034003 - 8 Jul 2025

Viewed by 136

Abstract

G-protein-coupled receptors (GPCRs) are vital transmembrane proteins that regulate a wide range of physiological processes by transmitting extracellular signals into intracellular responses. Among them, the β2-adrenergic receptor (β2-AR) plays a central role in bronchodilation, smooth muscle relaxation, and cardiovascular modulation, making it a key therapeutic target for diseases such as asthma, chronic obstructive pulmonary disease (COPD), and hypertension. This study explores the potential of natural bioactive compounds like ephedrine, quercetin, catechin, and resveratrol as alternative ligands for β2-AR through molecular docking analysis. Using AutoDock 4.6, these compounds were docked with the binding site of the β2-AR (PDB ID: 2RH1), and their binding affinities and interaction map were evaluated. Results showed that all compounds exhibited favorable binding energies and stable interactions with key receptor residues, with quercetin demonstrating the highest affinity. The findings suggest that these natural compounds may serve as promising leads for the development of safer, plant-derived modulators of β2-AR, supporting the role of computational approaches in natural product-based drug discovery. However, as docking cannot determine functional activity, these findings should be interpreted as preliminary and require experimental validation. Full article

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