Results 221 to 230 of about 41,275 (293)

Free Phenolic Hydroxyl Groups Govern the Anticancer Activity of α‐Mangostin: A Structure–Activity Relationship Insight

ChemFoodChem, Volume 2, Issue 3, September 2026.
Free phenolic hydroxyl groups in the chemical structure of the natural xanthone α‐mangostin (MGT) contribute positively to achieving the anticancer profile against murine colon cancer, murine triple negative breast cancer, and human osteosarcoma cancer. ABSTRACT The α‐mangostin (MGT) is a natural xanthone obtained from the pericarp of mangosteen fruit (
Otávio Augusto Chaves, Afonso Santine M. M. Velez, Lívia Stenico, Douglas Chaves de Alcântara Pinto, Debora Decote‐Ricardo, Eliezer Avila Gandra, Marco Edilson Freire de Lima, Carlos Serpa   +7 more
wiley   +1 more source

Structure-based pharmacophore modeling, high-throughput screening, and molecular dynamics identify a novel DrugBank-derived HIV-1 protease inhibitor. [PDF]

PLoS One
Khazaal Nazal AS, Rashid Alrashedi AM, Risan Al-Iessa LA, Ali Rabeea MAH.   +3 more
europepmc   +1 more source

Design, Synthesis, and Biological Evaluation of Benzimidazol‐2‐One Hybrids as Potential Anti‐Alzheimer's Disease Agents

Drug Development Research, Volume 87, Issue 6, September 2026.
ABSTRACT Alzheimer's disease (AD) is a multifactorial neurodegenerative disorder for which single‐target therapies often provide insufficient benefit, motivating the development of multi‐target‐directed ligands (MTDLs). In this study, a novel series of benzimidazolone‐based hybrids incorporating piperazine, coumarin, and triazole moieties was designed,
Fatih Yılmaz, Emre Menteşe, Ozan Emre Eyüpoğlu, Bahittin Kahveci, Mustafa Emirik   +4 more
wiley   +1 more source

Combining Artificial Intelligence and Human Expertise in Pursuit of Novel PolQ Inhibitors. [PDF]

ACS Omega
Miccoli A, Charnock A, Denis A, Fordyce E, Franklin C, Gheyouche E, Henderson I, Housseman C, Jordan A, Laugeois M, Meillon JC, Onions S, Perron Q, Pescheteau C, Pihan E, Reeves M, Rooney K, Rowlands H, Scally N, Sleigh C, Sumal K, Le Vaillant F, Walker G.   +22 more
europepmc   +1 more source

Sulfonamide‐Based 2‐Amino‐1,3,4‐Oxadiazole Derivatives as Dual Cholinesterase and Carbonic Anhydrase Inhibitors: Design, Synthesis, Kinetic Characterization, Molecular Modeling, and ADMET Evaluation

Drug Development Research, Volume 87, Issue 6, September 2026.
ABSTRACT In this study, 12 novel sulfonamide derivatives incorporating 2‐amino‐1,3,4‐oxadiazole and 1,3‐benzazol‐2(3H)‐one scaffolds were synthesized and structurally characterized using 1H NMR, 13C NMR, and LC–MS analyses. Their inhibitory activities were evaluated against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), carbonic anhydrase I
Gülnur Arslan Karahan, Başak Gökçe, Muhammed Tilahun Muhammed, Emre Kadir Ayan, Azime Berna Özçelik   +4 more
wiley   +1 more source

Integrated Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Simulations Accelerate the Discovery of Novel PDE1 Inhibitors with Potential for the Treatment of Idiopathic Pulmonary Fibrosis. [PDF]

Molecules
Cai XL, Xue ZH, He SJ, Luo WH, Liu RD, Zhou Q, Zhang C.   +6 more
europepmc   +1 more source

Cinnamaldehyde From Cinnamon as a Food‐Derived Bioactive: Phytochemistry, Anticancer Mechanisms, Bioavailability, Nanoformulation and Safety

Food Frontiers, Volume 7, Issue 5, September 2026.
Cinnamaldehyde derived from Cinnamomum species exerts multitarget anticancer effects by promoting oxidative stress, mitochondrial dysfunction, apoptosis, cell‐cycle arrest, autophagy, and epigenetic changes, and by suppressing mitogen‐activated protein kinase (MAPK), phosphoinositide 3‐kinase/protein kinase B/mechanistic target of rapamycin (PI3K/Akt ...
Gervason Moriasi, Sally Kamau, Gulnaz Seitimova, Shynar Zhumagaliyeva, Javad Sharifi‐Rad, William N. Setzer, Daniela Calina   +6 more
wiley   +1 more source

Advances in Cyclic Peptides Targeting G Protein-Coupled Receptors. [PDF]

Chembiochem
Zhou Y, Li N, Zheng JS.
europepmc   +1 more source

Juanbi Tang Attenuates Intervertebral Disc Degeneration by Suppressing p38MAPK/NF‐κB Signaling and Activating Atg5‐Dependent Autophagy to Promote Macrophage M2 Polarization: In Vivo and In Vitro Evidence

Immunity, Inflammation and Disease, Volume 14, Issue 9, September 2026.
Graphical Abstract. Juanbi Tang (JBT) suppresses the p38MAPK/NF‐κB signaling pathway in disc‐infiltrating macrophages, simultaneously activating Atg5‐dependent autophagy. Autophagic degradation of p62/SQSTM1 consolidates NF‐κB inhibition through an autophagy–p62–NF‐κB regulatory module, facilitating macrophage M1‐to‐M2 polarization.
Ye‐Hui Wang, Wei Hou, Guo‐Sheng Tang, Xuan‐Geng Deng, Si‐Mao Song, Wei Cui, Yang Ye, Yang Yu   +7 more
wiley   +1 more source

Pharmacophore-driven design and biological evaluation of heterocyclic PDE4B inhibitors for Alzheimer's disease. [PDF]

RSC Adv
Pujar KG, Purohit D, Shetty RP, S P, Kolachi KY, Bharathi H M A, Achar PG, P P.   +7 more
europepmc   +1 more source