Results 131 to 140 of about 37,292 (264)

In Silico Analysis for Exploring the Potential Inhibitors Against Breast Cancer (MCF7) Using Curcumin Analogue Compounds

Jurnal Kimia Sains dan Aplikasi
Breast cancer is one of the most problematic diseases in the world. Currently, there are no potential vaccines for the treatment of this disease. Therefore, finding effective compounds, such as curcumin analogs, is crucial to inhibit breast cancer. Forty-
Neni Frimayanti, Adel Zamri, Yum Eryanti
doaj   +1 more source

Benign by design: A paradigm shift in cosmetic ingredient development

International Journal of Cosmetic Science, EarlyView.
Benign by design strategies enable the creation of biodegradable cosmetic ingredients, reducing environmental persistence while maintaining the intended biological activity. This work compiles design rules and tools to guide the development of more sustainable molecules for the cosmetics industry.
Sandra Mota, Klaus Kümmerer, Isabel Martins de Almeida, Emília Sousa   +3 more
wiley   +1 more source

Selenium‐Containing 1,4‐Naphthoquinone Derivatives Trigger Reactive Oxygen Species and Apoptosis in Triple‐Negative Breast Cancer Cells

Drug Development Research, Volume 87, Issue 5, August 2026.
ABSTRACT Cancer ranks as a leading cause of death worldwide, demanding new affordable therapies. Nature offers a diverse array of bioactive scaffolds, including 1,4‐naphthoquinone, which serves as a precursor for numerous natural and synthetic compounds with potent antitumor properties.
Eduardo Angulo‐Elizari, Asif Raza, Hannah Johnson, Nuria Martínez‐Sáez, Ignacio Encío, Arun K. Sharma, Carmen Sanmartín, Daniel Plano   +7 more
wiley   +1 more source

Eyes Toward the Clinic: Selective Inhibition and Degradation Approaches to Bromodomain‐Containing Proteins

ChemBioChem, Volume 27, Issue 13, 14 July 2026.
The function of bromodomain‐containing proteins in regulating gene transcription is reviewed here, including the development of chemical probes and targeted protein degradation modalities (e.g., PROTACs). This extends to clinical efforts targeting the BET bromodomain‐containing proteins. Challenges of selectivity, future prospects, and the differential
Cole R. Scholtz, William C. K. Pomerantz
wiley   +1 more source

Pharmacophore features.

, 2018
Pharmacophore features are defined as orange, green and purple colored represented by F1-aromatic hydrophobic (HyD/Aro), F2-hydrophobic (HyD) and F3-hydrogen bond acceptor (HBA).
Rumeza Hanif (5249699), Qaisar Mansoor (5249705), Muhammad Ismail (3176079), Samra Khalid (5249702), Ishrat Jabeen (1284885)   +4 more
core   +1 more source

Synthetic Ligands of Myeloid C‐Type Lectin Receptors

ChemBioChem, Volume 27, Issue 13, 14 July 2026.
Binding of ligands to C‐type lectin receptors (CLRs) on myeloid cells can lead to an array of cellular responses. Exploitation of these receptors for therapeutic purposes requires high‐affinity ligands. This review surveys the diversity of synthetic ligands of myeloid CLRs in the context of binding, signaling, and downstream effects, as well as ...
James Suri, Bernd Lepenies
wiley   +1 more source

Metal–Drug Complexes as Long‐Release Application for Antimalarial PfFNT‐Inhibitors

ChemMedChem, Volume 21, Issue 13, 14 July 2026.
P. falciparum formate‐nitrite transporter (PfFNT) inhibitors have emerged as a novel antimalarial class with potent in vivo and liver‐stage activity. Low‐solubility metal–inhibitor complexes were prepared as potential long‐acting injectables.
Finn Tiedjens, Björn Henke, Ulrich Girreser, Regina Scherließ, Eric Beitz   +4 more
wiley   +1 more source

Pharmacophore modeling and in silico toxicity assessment of potential anticancer agents from African medicinal plants

, 2016
Fidele Ntie-Kang,1,2,* Conrad Veranso Simoben,1,2,* Berin Karaman,1 Valery Fuh Ngwa,3 Philip Neville Judson,4 Wolfgang Sippl,1 Luc Meva’a Mbaze5 1Department of Pharmaceutical Chemistry, Martin-Luther University of Halle-Wittenberg, Halle (Saale ...
Simoben CV, Mbaze LM, Judson PN, Ntie-Kang F, Sippl W, Karaman B, Ngwa VF   +6 more
core  

Ligand-based pharmacophore modeling using novel 3D pharmacophore signatures

, 2020
© 2018 by the authors. Pharmacophore modeling is a widely used strategy for finding new hit molecules. Since not all protein targets have available 3D structures, ligand-based approaches are still useful. Currently, there are just a few free ligand-based
Kutlushina A., Khakimova A., Madzhidov T., Polishchuk P.   +3 more
core  

Receptor pharmacophore ensemble (REPHARMBLE): a probabilistic pharmacophore modeling approach using multiple protein-ligand complexes

, 2018
Ensemble methods are gaining more importance in structure-based approaches as single protein-ligand complexes strongly influence the outcomes of virtual screening.
Kumar, Sivakumar Prasanth
core   +1 more source