- Discovery and Mechanistic Investigation of a Novel Kinase Inhibitor Targeting EGFR Resistance Mutations. [Journal Article]Curr Drug Targets. 2026 Oct 16. [Online ahead of print]CD
- CONCLUSIONS: As a computationally predicted EGFR-targeting compound, ZINC44136419 is predicted in silico to show preferential docking interactions with drug-resistant mutants through its structurally distinct scaffold, representing a preliminary candidate with potential translational value for overcoming EGFR-TKI resistance, pending experimental validation.
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- Decoding the Molecular Target Landscape of Chalcones: An Integrated Cheminformatics Analysis Using PubChem Patent Data, Protein Target Profiling, and Bioassay Activity Mapping. [Journal Article]Curr Drug Targets. 2026 Oct 16. [Online ahead of print]CD
- CONCLUSIONS: Chalcones represent a tractable, polypharmacological scaffold with target engagement validated across 145 human proteins. Hit-rate patterns provide reliable evidence even after accounting for reporting bias, although translational claims require independent experimental validation.
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- Topical Emulgel of Epigallocatechin Gallate and Olive Oil: A Quality-by-design Approach for Managing Chemotherapy-induced Alopecia. [Journal Article]Curr Drug Targets. 2026 Oct 14. [Online ahead of print]CD
- CONCLUSIONS: Emulgel can be used to deliver EGCG, which addresses the limitations of formulations available and potentially can be adopted as a therapeutic approach in healthcare.
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- Preface. [Journal Article]Curr Drug Targets. 2026 Oct 09. [Online ahead of print]CD
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- HNF4-α Knockout Promotes HepG2 Cell Migration and Reduces Mitochondrial Membrane Potential under Hypoxic Conditions. [Journal Article]Curr Drug Targets. 2026 Oct 13. [Online ahead of print]CD
- CONCLUSIONS: Further investigation into the role of HNF4-α in tumor biology is encouraged.
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- Computational Drug Repurposing Reveals Lopinavir and Ritonavir as Potential Inhibitors of APOL Proteins for Combating Kidney and Neuropsychiatric Disorders. [Journal Article]Curr Drug Targets. 2026 Oct 13. [Online ahead of print]CD
- CONCLUSIONS: This study provides the first computational evidence supporting cross-paralog APOL inhibition by repurposed antiviral drugs. These findings provide a computational basis for the development of APOL-targeted therapeutic strategies and warrant further experimental validation.
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- Computational Evaluation of Hydnocarpin as a Novel ROCK2 Inhibitor and Potential Regulator of Mitophagy in Cancer. [Journal Article]Curr Drug Targets. 2026 Oct 13. [Online ahead of print]CD
- CONCLUSIONS: Hydnocarpin emerges as the most promising ROCK2 inhibitor among screened phytocompounds, supporting its potential as a mitophagy-modulating anticancer agent warranting further in vitro validation, as all findings reported here are computational predictions.
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- Sulfamethoxazole Attenuates Aluminum-induced Cognitive Impairment: In silico Evidence for BACE1 Interaction and In vivo Behavioral Assessment. [Journal Article]Curr Drug Targets. 2026 Oct 08. [Online ahead of print]CD
- CONCLUSIONS: SMZ attenuated AlCl3-induced cognitive impairment in rats and demonstrated a favorable predicted interaction with BACE1. Further studies are required to validate the proposed molecular mechanism and determine the therapeutic relevance of SMZ in cognitive dysfunction.
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- TYK2-Wnt5a Crosstalk in Psoriatic Arthritis: A Hypothesized Immunopharmacological Axis for Inflammation and Structural Remodelling. [Journal Article]Curr Drug Targets. 2026 Oct 08. [Online ahead of print]CD
- CONCLUSIONS: The TYK2-Wnt5a axis is a promising, hypothesis-generating target in PsA; further mechanistic and clinical studies are needed to validate it therapeutically.
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- In silico Prediction of Protein Targets for Benzofuranone Ring-containing Agents and Molecular Docking Analysis. [Journal Article]Curr Drug Targets. 2026 Oct 07. [Online ahead of print]CD
- CONCLUSIONS: In our study, we identify ligand M as a promising starting scaffold for derivatizing benzofuranone- based compounds. In silico information provided in this study may serve as a basis for future researchers to design, synthesize, and evaluate new derivatives of this ligand with improved biological properties.
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- Rational Design and Evaluation of Novel ATR Inhibitors for Osteosarcoma Therapy: An Integrated 3D-QSAR, Molecular Docking, and Molecular Dynamics Study. [Journal Article]Curr Drug Targets. 2026 Oct 06. [Online ahead of print]CD
- CONCLUSIONS: Integrating CoMSIA-based 3D-QSAR modeling with cross-structure molecular docking and molecular dynamics simulations identified a scaffold-specific SAR framework and prioritized 19h-5 for further evaluation. The consistent structural behavior observed in both the ATR-mimetic and native ATR receptor models provides additional computational support for the proposed binding hypothesis, while experimental validation remains necessary.
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- Identification of Human Nectin-4 and Signaling Lymphocyte Activation Molecule/SLAM as Potential Receptors for the Spike Protein of SARS-CoV-2 and its Variants. [Journal Article]Curr Drug Targets. 2026 Oct 01. [Online ahead of print]CD
- CONCLUSIONS: Computational modeling identifies Nectin4 and SLAM as potential receptors for the virus Spike protein.
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- From Models to Molecules: Integrative Strategies in Herbal Product-based Drug Discover. [Editorial]Curr Drug Targets. 2026 Sep 30. [Online ahead of print]CD
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- Stimuli-responsive Graphene Nanoplatforms Co-delivering Self-amplifying RNA, circRNA, and cGAMP for Cancer Immunotherapy: A Narrative Review. [Journal Article]Curr Drug Targets. 2026 Sep 30. [Online ahead of print]CD
- CONCLUSIONS: Stimuli-responsive graphene nanoplatforms co-delivering saRNA, circRNA, and cGAMP represent a promising next-generation strategy for precision cancer immunotherapy. Continued advances in graphene engineering and translational nanomedicine may facilitate their future clinical application.
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- Plant-derived Bioactive Compounds in Schizophrenia: Pharmacological Mechanisms and Emerging Drug Targets. [Journal Article]Curr Drug Targets. 2026 Sep 29. [Online ahead of print]CD
- CONCLUSIONS: Plant-based interventions should be positioned as adjunctive, not alternative, approaches. Further adequately powered clinical trials using standardized preparations are required to clarify efficacy, safety, optimal dosing and clinical relevance in schizophrenia.
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