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Biomedicines
Special Issues
Gastric Cancer: From Translational to Clinical Molecule Studies
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Gastric Cancer: From Translational to Clinical Molecule Studies

A special issue of Biomedicines (ISSN 2227-9059). This special issue belongs to the section "Cancer Biology and Oncology".

Deadline for manuscript submissions: closed (31 January 2023) | Viewed by 3279

Special Issue Editor

Dr. Antoni M. Szczepanik

E-Mail Website
Guest Editor
1st Department of Surgery, Medical College, Jagiellonian University, Krakow, Poland
Interests: surgical oncology; immunology; nutrition; colorectal cancer; gastric cancer

Special Issue Information

Dear Colleagues,

Gastric cancer is one of the most aggressive cancers. During the last decade, we observed a decline in the incidence of gastric cancer; however, no record-breaking progress in its treatment was made. Surgery has its standards, and though the role of chemotherapy is well established, more extensive surgery does not mean an increase in effectiveness. There is a need for open-minded studies that will combine translational and molecular studies with clinical thinking. In my opinion, molecular classification of gastric cancer subtypes may provide guidance for targeted treatment. Moreover, the targets for immunotherapy or biological therapy should be redefined for gastric cancer. One of the most important issues is the peritoneal dissemination of gastric cancer. The questions of how to diagnose, how to prevent and how to treat are equally difficult. The role of epigenetics in the regulation of gastric carcinogenesis and progression is still not clarified. Therefore, research into these fields may be important. Last but not least is the role of the GI microbiome as a component of carcinogenesis and as a predictive factor for treatment outcomes. Another very interesting area is the impact of gastric cancer treatment on the function of immune system, the metabolism, and body composition. I would not like to limit the list of possible topics but to encourage researchers to propose their ideas.

Dr. Antoni M. Szczepanik
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Biomedicines is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • gastric cancer
  • targeted therapy
  • immunotherapy

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Published Papers (1 paper)

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Research

30 pages, 2731 KiB  
Article
Structural Insights from Molecular Modeling of Isoindolin-1-One Derivatives as PI3Kγ Inhibitors against Gastric Carcinoma
by Suparna Ghosh and Seung Joo Cho
Biomedicines 2022, 10(4), 813; https://doi.org/10.3390/biomedicines10040813 - 30 Mar 2022
Cited by 8 | Viewed by 2669
Abstract
The upregulation of phosphoinositol-3-kinase γ (PI3Kγ) is deemed to be positively correlated with tumor-associated-macrophage (TAM)-mediated gastric carcinoma (GC). PI3Kγ suppresses tumor necrosis factor-alpha (TNF-α) and interleukin-12 (IL-12) through activation of the AKT/mTOR pathway, which promotes the immunosuppressant phenotype of TAM. Unlike α and [...] Read more.
The upregulation of phosphoinositol-3-kinase γ (PI3Kγ) is deemed to be positively correlated with tumor-associated-macrophage (TAM)-mediated gastric carcinoma (GC). PI3Kγ suppresses tumor necrosis factor-alpha (TNF-α) and interleukin-12 (IL-12) through activation of the AKT/mTOR pathway, which promotes the immunosuppressant phenotype of TAM. Unlike α and β isoforms, δ and γ isoforms are primarily distributed in leucocytes and macrophages. Dual inhibitors against PI3Kδ and PI3Kγ have been proven to have merits in targeting solid tumors. Furthermore, it has been found that PI3Kδ is activated by cytokines, while PI3Kγ is activated by G-protein-coupled receptors (GPCRs). This facilitates determining the functional difference between these two isoforms. For this goal, selective inhibitors would be immensely helpful. In the current manuscript, we conducted various molecular modeling studies with a series of isoindolin-1-one derivatives as potent PI3Kγ inhibitors by combining molecular docking, molecular dynamics (MD), molecular mechanics, Poisson–Boltzmann/generalized Born surface area (MM-PB/GBSA) binding free energy calculation, and three-dimensional structure–activity relationship (3D-QSAR) study. To evaluate the selectivity of γ isoform over δ, the molecular modeling studies of idelalisib analogs reported as PI3Kδ inhibitors were also investigated. The contour polyhedrons were generated from the comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) around the ligand-bound active site for both isoforms, which could emphasize plausible explanations for the physicochemical factors that affect selective ligand recognition. The binding modalities of the two isoforms using CoMFA and MD models were compared, which suggested some key differences in the molecular interactions with the ligands and could be summarized as three subsites (one affinity subsite near the C-helix and DFG and two hydrophobic subsites). In the context of the structure–activity relationship (SAR), several new compounds were designed using a fragment-substitution strategy with the aim of selectively targeting PI3Kγ. The pIC50 values of the designed compounds were predicted by the 3D-QSAR models, followed by the MM-PB/GBSA binding energy estimation. The overall findings suggest that the designed compounds have the potential to be used as PI3Kγ inhibitors with a higher binding affinity and selectivity. Full article
(This article belongs to the Special Issue Gastric Cancer: From Translational to Clinical Molecule Studies)
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