SCI Abstract

search
+
Molecular and biological characterization of VEGF-mimetic peptidomimetic containing a morpholine β-amino acid
The QK peptide is a 15-residue VEGF-mimetic compound known for its proangiogenic activity. Its helical conformation plays ...
Probiotic-based derived exopolysaccharide-zinc oxide nanoparticles: a novel approach to colorectal cancer gene modulation
CRC has become one of the most common (third) types of cancer and remains one of the leading causes of cancer-related mort...
Histone deacetylase 6: a potential therapeutic target for drug development
Epigenetics refers to reversible and heritable mechanisms that alter gene expression without altering DNA sequence, includ...
A review: recent developments of co-targeted TRK (tropomyosin receptor kinases) inhibitors for cancer therapy
Cancer is a lethal and dangerous disease which affects millions of people's lives in the world. Based on the American Canc...
Exploring DPP-4: Implications in diverse diseases and structural insights for novel inhibitor design
Diabetes mellitus (DM) poses a significant public health challenge, impacting roughly 10 % of the population. Many countri...
Lipid-conjugated nucleoside prodrugs for antiviral therapy
Nucleoside and Nucleotide analogs, acting as antimetabolites or inhibitors that interfere with DNA or RNA synthesis, have ...
Overcoming resistance in RET-altered cancers through rational inhibitor design and combination therapies
Tyrosine kinases are enzymes that catalyze the transfer of phosphate groups from ATP to tyrosine residues on proteins with...
Porcupine (PORCN): structural insights, functional mechanisms, and therapeutic potential in Wnt-driven diseases
Porcupine (PORCN), an endoplasmic reticulum (ER)-resident membrane-bound O-acyltransferase (MBOAT) [1], regulates the Wnt ...
Discovery of natural compounds and their derivatives against neuroinflammation: Pharmacological mechanisms and structure-activity relationship
Neuroinflammation refers to the inflammatory response within the central nervous system mediated by immune and glial cells...
Targeted protein degradation in pancreatic cancer: advances and challenges of PROTAC-based therapeutics
Pancreatic cancer, particularly pancreatic ductal adenocarcinoma (PDAC), remains one of the deadliest malignancies worldwi...
Integrating molecular imaging with near-infrared theranostics to improve early detection and therapy of Alzheimer's disease
Globally, Alzheimer's disease (AD) is the leading cause of dementia. It is a long-term neurological condition that impairs...
MAP4K3/GLK: Structure, molecular pharmacology and drug development
The serine/threonine kinase MAP4K3 (mitogen activated protein kinase kinase kinase kinase 3, also known as GLK, germinal-c...
Development of APOBEC3B inhibitors: Recent advances and perspectives
The apolipoprotein B mRNA editing catalytic polypeptide-like 3 (APOBEC3, A3) enzyme family is a class of cytosine deaminas...
A comprehensive review of targeting sterol 14α-demethylase and sterol C-24 methyl transferase, two pivotal proteins in Leishmania, as compelling therapeutic targets
Leishmaniasis, a group of protozoan parasitic infections, ranks among the top 10 neglected tropical diseases and is the se...
The role and potential therapeutic application of HDAC6 inhibitors in inflammation-related diseases: A medicinal chemistry perspective
Inflammation, a common pathological process, represents an acute response of the body to stimulus (infection, tissue damag...
Recent progress in topoisomerase inhibitors as anticancer agents: Research and design strategies for Topo I and II inhibitors via structural optimization
Cancer is increasingly recognized as a significant global health threat and ranks among the foremost causes of mortality [...
Unraveling the mechanisms of ubiquitin-specific proteases in hepatocellular carcinoma: A focus on inhibitors
Hepatocellular carcinoma (HCC) is a common cause of cancer death worldwide and ranks among the top ten most prevalent canc...
Design, synthesis, and biological evaluation of death-associated protein kinase 1 PROTACs
Death-associated protein kinase 1 (DAPK1) is a calcium/calmodulin-regulated serine/threonine kinase that plays a pivotal r...
Fluorescent Triazolyl unnatural amino acids in protein engineering: Encoding super folder green fluorescent protein and spectroscopic study
Over the years, the Genetic Code Expansion (GCE) strategy has allowed the precise incorporation of desired unnatural amino...
Natural diterpenoids isolated-interaction-phenotypic target characterization: An idea performed with Daphne genkwa and Wikstroemia chamaedaphne bud extract
The diterpenoids derived from Daphne genkwa (Thymelaeaceae) and Wikstroemia chamaedaphne (Thymelaeaceae) have been regarde...
Integrated machine learning and deep learning-based virtual screening framework identifies novel natural GSK-3β inhibitors for Alzheimer’s disease
Integrated machine learning and deep learning-based virtual screening framework identifies novel natural GSK-3β inhibitors for Alzheimer’s disease
Alzheimer’s disease (AD) is a progressive neurodegenerative disorder lacking effective therapies. Glycogen synthase ...
Design, synthesis, evaluation and molecular modeling of quinazoline derivatives bearing amino acids as small-molecule PD-L1 inhibitors
Design, synthesis, evaluation and molecular modeling of quinazoline derivatives bearing amino acids as small-molecule PD-L1 inhibitors
Herein, we reported a series of quinazoline derivatives bearing amino acids by introducing a rigid pyrimidine structure be...
Comparison study of dominant molecular sequence representation based on diffusion model
Comparison study of dominant molecular sequence representation based on diffusion model
In recent years, the emergence of large language models (LLMs), particularly the advent of ChatGPT, has positioned natural...
Molecular dynamics simulations reveal mechanistic insights into aptamer-induced structural rearrangements in viral capsid proteins
Molecular dynamics simulations reveal mechanistic insights into aptamer-induced structural rearrangements in viral capsid proteins
Macrobrachium rosenbergii nodavirus is a major viral pathogen responsible for white tail disease in giant freshwater prawn...
Anti-inflammatory potential of from : insights from molecular docking, ADMET, DFT, and studies
Anti-inflammatory potential of from : insights from molecular docking, ADMET, DFT, and studies
Grewia optiva, a medicinal plant native to northern Pakistan, has traditionally been valued for managing pain and inflamma...
Design, synthesis, characterization, in silico, in vitro and in vivo antidiabetic studies of novel benzothiophene derivatives
Design, synthesis, characterization, in silico, in vitro and in vivo antidiabetic studies of novel benzothiophene derivatives
This study evaluated the antidiabetic efficacy of novel benzothiophenes using in silico, in vitro and in vivo methods. The...
Targeting neurodegeneration: three machine learning methods for G9a inhibitors discovery using PubChem and scikit-learn
Targeting neurodegeneration: three machine learning methods for G9a inhibitors discovery using PubChem and scikit-learn
In light of the increasing interest in G9a’s role in neuroscience, three machine learning (ML) models, that are time...
Exploring Oxazolidinone scaffolds for future antibiotics: synthesis and computational insights with DFT, docking, ADME and MD simulation
Exploring Oxazolidinone scaffolds for future antibiotics: synthesis and computational insights with DFT, docking, ADME and MD simulation
The emergence of antibiotic-resistance is a serious concern in maintaining global health in this era, which necessitates c...
Computational exploration and molecular dynamics simulations for investigating the potential inhibitory mechanism of amantadine on the ion channel activity of bovine viral diarrhea virus p7
Computational exploration and molecular dynamics simulations for investigating the potential inhibitory mechanism of amantadine on the ion channel activity of bovine viral diarrhea virus p7
Bovine viral diarrhea virus (BVDV) p7 functions as a viroporin for the ion balance and membrane permeabilization. Blocking...
Anticancer potential of 2,2′-bipyridine hydroxamic acid derivatives in head and neck cancer therapy
Anticancer potential of 2,2′-bipyridine hydroxamic acid derivatives in head and neck cancer therapy
The genesis of head and neck cancer (HNC) is attributed to the combined influence of genetic and epigenetic irregularities...
Load More
format_indent_increase