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Drug Discovery and Development for Renal Disease Treatment

A Special Issue of International Journal of Molecular Sciences (ISSN 1422-0067) belonging to the section "Molecular Pharmacology".

Deadline for manuscript submissions: 20 September 2026 | Viewed by 1749

Editor

Special Issue Information

Dear Colleagues,

So far, drug discovery has undergone a major transformation, progressing from the recognition and refinement of natural products with therapeutic benefits to the systematic screening of molecular libraries on whole organisms or cell lines. Recently, a more target-based approach driven by greater knowledge of the physiological and pathological pathways involved has been focused. A novel target is derived from various sources: clinical research, structural biology, application of in silico methodologies, computational-based toxicology, and advanced manufacturing approaches.

Once a target has been validated, numerous processes must be carried out to identify molecules with suitable characteristics to make acceptable drug candidates for clinical studies.

Looking to the future, investment in renal drug development must continue to cover the whole translational spectrum (from ‘bench to bedside and back again’) with the recognition that both biological discovery and clinical understanding will drive drug discovery, providing safe and effective therapies for renal disease.

This Special Issue aims to present current efforts in medicinal chemistry and early drug discovery. Original research articles, review articles, and short communications within (but not limited to) the research areas described are welcome.

Dr. Keiko Hosohata
Guest Editor

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Keywords

  • kidney disease
  • medicinal chemistry
  • drug discovery
  • computer-assisted drug design
  • drug targets
  • in vitro assays
  • epigenetic targets
  • multi-targeting compounds
  • biophysical methods
  • target engagement studies

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Published Papers (1 paper)

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Research

20 pages, 14999 KB  
Article
Investigating the Effects and Potential Mechanisms of Astragalus Root Against Diabetic Nephropathy Based on Bioinformatics Analysis and In Vitro Validation
by Jie Li, Subinur Ahmattohti, Ying Gao, Xiangqin Xie, Jasur Kasim, Liang Feng, Baojian Li, Shuliang Niu and Jianguang Li
Int. J. Mol. Sci. 2026, 27(10), 4641; https://doi.org/10.3390/ijms27104641 - 21 May 2026
Viewed by 1020
Abstract
Astragalus root, a traditional Chinese herbal remedy, has shown potential benefits against diabetic nephropathy (DN). However, the mechanisms driving its effects remain poorly understood. This study explored the molecular pathways through which Astragalus root improves DN. To identify possible targets and mechanisms of [...] Read more.
Astragalus root, a traditional Chinese herbal remedy, has shown potential benefits against diabetic nephropathy (DN). However, the mechanisms driving its effects remain poorly understood. This study explored the molecular pathways through which Astragalus root improves DN. To identify possible targets and mechanisms of Astragalus root in DN treatment, we applied network pharmacology, molecular docking, molecular dynamics simulation, and in vitro assays. Network pharmacology screening uncovered 46 overlapping targets between Astragalus root and DN. Protein–protein interaction (PPI) network analysis identified five core candidate targets: CASP3, VEGFA, CTNNB1, MYC, and PRKCB (PKCβ). KEGG pathway analysis indicated that the AGE-RAGE signaling pathway was the most significantly enriched. Molecular docking revealed that quercetin, β-carotene, daidzein, capsaicin, and kaempferol—potential bioactive components of Astragalus root—bound strongly to each of the five core targets. Molecular dynamics simulations further confirmed the conformational stability of kaempferol when complexed with these target proteins. In vitro experiments showed that kaempferol markedly reduced protein levels of α-SMA, Col I, and Col IV; lowered secretion of TNF-α, IL-6, and IL-1β; and decreased ROS and MDA content. Additionally, kaempferol’s therapeutic effects were mediated through suppression of the AGE-RAGE-PKCβ-TGF-β1 signaling axis. This work identified kaempferol, a bioactive ingredient of Astragalus root, as a potential therapeutic agent against DN, along with its target pathways. These findings provide a scientific foundation for its clinical translation. Full article
(This article belongs to the Special Issue Drug Discovery and Development for Renal Disease Treatment)
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