Results 141 to 150 of about 37,292 (264)

Synthesis, Electrochemistry, In Vitro Antiprotozoal Efficacy and Mechanistic Study of Novel ‘Ferrantoin’ and Related Derivatives

Applied Organometallic Chemistry, Volume 40, Issue 7, July 2026.
1,2‐Disubstituted ferrocene analogues bearing hydantoin or rhodanine synthons were synthesised and assessed for antitrypanosomatid activity. An antileishmanial early lead, analogue 23, acting through ROS generation and hence oxidative stress, was uncovered.
Maryna Saayman, Janine Aucamp, Helena D. Janse van Rensburg, Christina Kannigadu, Rotondwa Mphephu, Andrew J. Swarts, Keisuke Suganuma, David D. N'Da   +7 more
wiley   +1 more source

Pharmacophore analysis of natural products.

, 2015
Based on the number of unique pharmacophore triplets (1–6 bonds), generated using eight features, we identified that fragment-sized natural products cover ~66% of the unique pharmacophore of the whole DNP.
Marc Campitelli (728529), Bao Nguyen (728530), Mauro Pascolutti (1554772), Ronald J. Quinn (134169), Alain-Dominique Gorse (728532), Ngoc Pham (728531)   +5 more
core   +1 more source

2‐Pyrazoline‐5‐One Derivative Suppresses Cell Proliferation and Induces Apoptosis With Upregulation of Bax in Breast Cancer Cells

Journal of Biochemical and Molecular Toxicology, Volume 40, Issue 7, July 2026.
2‐Pyrazoline‐5‐one derivative inhibits proliferation and migration and induces Bax‐mediated apoptosis in breast cancer cells. ABSTRACT The most common cancer in women worldwide is still breast cancer. Among its subtypes, luminal A and triple‐negative breast cancers present significant therapeutic challenges due to intrinsic drug resistance and absence ...
Sevgi Kocyigit Sevinc, Ş. Güniz Küçükgüzel, Sevim Rollas, Fulya Yukcu   +3 more
wiley   +1 more source

Protein Pharmacophore Selection Using Hydration-Site Analysis

, 2016
Virtual screening using pharmacophore models is an efficient method to identify potential lead compounds for target proteins. Pharmacophore models based on protein structures are advantageous because a priori knowledge of active ligands is not required ...
Bingjie Hu (1340907), Markus A. Lill (256109)   +1 more
core   +1 more source

Synthesis, Characterization, Antioxidant Evaluation, Cytotoxicity Studies, and Molecular Docking of Novel Sulfonamide Derivatives

Journal of Biochemical and Molecular Toxicology, Volume 40, Issue 7, July 2026.
A series of novel sulfonamide derivatives (4a–i) were synthesized and characterized. Compound 4d showed significant antioxidant activity, while compounds 4g, 4h, and 4i exhibited high cytotoxicity against ovarian and prostate cancer cells, particularly 4h with a log IC50 of 1.343 µg/mL.
Ouissal Bouraoui, Güldeniz Şekerci, Khaled Mesbah, James A. Ezugwu, Rachid Benkiniouar, Suat Tekin, Fatümetüzzehra Küçükbay, Houssem Boulebd, Hasan Küçükbay   +8 more
wiley   +1 more source

Comparative analysis of pharmacophore screening tools.

, 2012
Item does not contain fulltextThe pharmacophore concept is of central importance in computer-aided drug design (CADD) mainly because of its successful application in medicinal chemistry and, in particular, high-throughput virtual screening (HTVS).
Nicolaes, Gerry A. F., Barbosa, A.J., Nicolaes, G.A., Vlieg, J. de, Del Rio, Alberto, Zarzycka, B., Klomp, J.P.G., Rio, A. Del, Klomp, Jan P. G., Zarzycka, Barbara, de Vlieg, Jacob, Barbosa, Armenio J. M., Sanders, Marijn P. A., Nicolaes, Gerry A. F.; id_orcid, Sanders, M.P.A.   +14 more
core   +1 more source

Multi‐Targeting Ligands as Prospective Therapeutics for Alzheimer's Disease, a Prevalent Neurodegenerative Disorder: Mechanistic Insights, Emerging Targets and Drug Discovery Campaigns

Medicinal Research Reviews, Volume 46, Issue 4, Page 1173-1229, July 2026.
ABSTRACT Alzheimer's disease (AD) is a debilitating neurodegenerative condition characterized by progressive cognitive impairment, memory deterioration, and neuronal dysfunction. Its complex pathophysiology involves multiple interlinked processes, including amyloid‐β (Aβ) aggregation, tau hyperphosphorylation, oxidative stress, neuroinflammation ...
Amandeep Thakur, Mandeep Rana, Sakshi Vanjani, Kei‐Chi Liou, Rajeev Taliyan, Kunal Nepali, Chih‐Hao Yang   +6 more
wiley   +1 more source

Per-residue energy decomposition pharmacophore model to enhance virtual screening in drug discovery: a study for identification of reverse transcriptase inhibitors as potential anti-HIV agents

, 2016
Favourite N Cele, Muthusamy Ramesh, Mahmoud ES Soliman Molecular Modelling and Drug Design Research Group, School of Health Sciences, University of KwaZulu-Natal, Durban, South Africa Abstract: A novel virtual screening approach is implemented herein ...
Soliman ME, Cele FN, Ramesh M
core  

Ebola active cpds pharmacophore

, 2014
Discovery Studio pharmacophore (common features) developed for compounds active vs ...
Sean Ekins (97122)
core   +1 more source

Structural basis of ligand selectivity in FAD/NAD(P)H‐dependent dehydrogenases: insights from trypanothione reductase and type II NADH dehydrogenase

Protein Science, Volume 35, Issue 7, July 2026.
Abstract FAD/NAD(P)H‐dependent dehydrogenases form a structurally conserved family of redox enzymes that participate in essential metabolic processes across parasites and higher organisms. Among them, trypanothione reductase (TR) is a key component of the redox metabolism of Leishmania species and represents an attractive target for antileishmanial ...
Giulia Chiara Maria Perrone, Serena Spadone, Anna Lucia Francavilla, Sara Morselli, Sabino Todisco, Margherita Ortalli, Jairo Alfonso Mendoza‐Roldan, Valeria Scaglione, Maria Noemi Sgobba, Lorenzo Guerra, Federica Belluti, Stefania Varani, Domenico Otranto, Anna De Grassi, Mariateresa Volpicella, Ciro Leonardo Pierri   +15 more
wiley   +1 more source