Archives of Surgical Oncology

The Histone Deacetylase (HDAC) family plays a crucial role in regulating gene expression by modulating chromatin structure and function. HDACs remove acetyl groups from lysine residues on histone proteins, leading to chromatin condensation and transcriptional repression. The family comprises 18 enzymes categorized into four classes based on their sequence homology and domain organization: Class I, II (subdivided into IIa and IIb), III (sirtuins) and IV. Understanding the structure and function of HDACs is essential for developing inhibitors as potential therapeutic agents for various diseases, including cancer and neurodegenerative disorders. This review discusses the structural characteristics of the HDAC family and highlights the application of combined computational techniques, such as molecular modeling, docking studies, and molecular dynamics simulations, to elucidate HDAC mechanisms and facilitate drug discovery.

This study presents a successful modification technique for engineering multifunctional peptides derived from a Kunitz family trypsin inhibitory peptide. By incorporating specific amino acid substitutions and structural modifications, the peptides were endowed with enhanced stability, binding affinity, and bioactivity. The modified peptides demonstrated significant inhibition of trypsin as well as additional functional properties, such as antimicrobial and anti-inflammatory activities. Structural analyses confirmed the maintenance of the Kunitz domain's integrity, ensuring the preservation of its inhibitory function. This approach provides a robust framework for developing versatile peptide-based therapeutics with multiple biological activities.

Metastatic Castration-Resistant Prostate Cancer (mCRPC) remains a significant therapeutic challenge due to its aggressive nature and resistance to conventional hormone therapies. Elevated glycolysis is a hallmark of mCRPC, presenting a potential therapeutic target. This study explores computational approaches to identify and evaluate drugs targeting metabolic pathways, specifically glycolysis, in mCRPC. Using in silico methods, we screened a library of compounds for their efficacy against glycolytic enzymes upregulated in mCRPC. Subsequent molecular docking, dynamics simulations, and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) profiling identified several promising candidates. Our findings suggest that targeting glycolysis in mCRPC could offer a novel therapeutic avenue, potentially overcoming resistance mechanisms and improving patient outcomes.

Red algae have been a subject of scientific interest due to their unique bioactive compounds, which have demonstrated significant therapeutic potential. This review explores the innovative application of red algae extract formulated with nanotechnology in cancer treatment. By integrating nanotechnology, the bioavailability and targeted delivery of red algae-derived compounds are significantly enhanced, offering promising advancements in cancer therapy. The paper delves into the specific mechanisms through which red algae extracts exert anticancer effects, the role of nanotechnology in improving treatment efficacy, and current research findings that support their use in oncology.