Results 91 to 100 of about 10,449 (207)

Structure‐ and Ligand‐Based Discovery of Novel 3‐Chymotrypsin‐Like Protease Nonpeptidomimetic Hits

ChemMedChem, Volume 21, Issue 7, 14 April 2026.
A multistep virtual screening cascade, integrating shape‐based, ensemble docking, and quantitative structure–activity relationship (QSAR) models, was employed to screen 1.5 million compounds. This funnel identified a novel 3‐chymotrypsin‐like protease (3CLpro) inhibitor, LabMol‐499, which was experimentally validated using a Förster Resonance Energy ...
Sabrina Silva‐Mendonça, Donald Seanego, Christopher Jurisch, Melina Mottin, Flávia Nader Motta, Beatriz S. A. Rodrigues, Gilberto S. M. Junior, Alexandra Maria dos Santos Carvalho, Fábio Muniz de Oliveira, Sunniva Sigurdardóttir, Per Sunnerhagen, Izabela Marques Dourado Bastos, Richard Gessner, Kelly Chibale, Carolina Horta Andrade   +14 more
wiley   +1 more source

Synthesis of Thiazolidin-4-Ones Derivatives, Evaluation of Conformation in Solution, Theoretical Isomerization Reaction Paths and Discovery of Potential Biological Targets

Molecules
Thiazolin-4-ones and their derivatives represent important heterocyclic scaffolds with various applications in medicinal chemistry. For that reason, the synthesis of two 5-substituted thiazolidin-4-one derivatives was performed.
Nikitas Georgiou, Danai Karta, Antigoni Cheilari, Franci Merzel, Demeter Tzeli, Stamatia Vassiliou, Thomas Mavromoustakos   +6 more
doaj   +1 more source

Redefining Therapies for Drug‐Resistant Tuberculosis: Synergistic Effects of Antimicrobial Peptides, Nanotechnology, and Computational Design

Advanced Healthcare Materials, Volume 15, Issue 14, 10 April 2026.
Antimicrobial peptide (AMP)‐loaded nanocarriers provide a multifunctional strategy to combat drug‐resistant Mycobacterium tuberculosis. By enhancing intracellular delivery, bypassing efflux pumps, and disrupting bacterial membranes, this platform restores phagolysosome fusion and macrophage function.
Christian S. Carnero Canales, Jessica Ingrid Marquez Cazorla, Renzo Marianito Marquez Cazorla, Aline Martins dos Santos, Jonatas Lobato Duarte, Letícia Oliveira Catarin Nunes, Túlio Custódio Reis, Lara Cerazi Salvador, Norival Alves Santos‐Filho, Rafael Miguel Sábio, Hélder A. Santos, Fernando Rogério Pavan   +11 more
wiley   +1 more source

DOCKING MOLEKULER SENYAWA POTENSIAL DAUN KELOR (Moringa oleifera) TERHADAP RESEPTOR FOLAT [PDF]

, 2022
Asam folat merupakan mikronutrien yang sangat diperlukan oleh ibu hamil dalam perkembangan sistem saraf. Konsumsi daun kelor dapat meningkatkan kadar hemoglobin yaitu >11 gr%.
Fauzah Cholashotul I’anah, Rahmawaty Hasan, Rizky Resvita R Bahi   +2 more
core   +1 more source

Bioactivity Profiling of Coronarin A and Villosin Isolated From Hedychium coronarium J. Koenig: Acaricidal, Nematicidal, and Antifungal Potential

Chemistry &Biodiversity, Volume 23, Issue 4, April 2026.
The graphical abstract illustrates the flowchart for the isolation and evaluation of bioactive compounds from Hedychium coronarium. Crude extracts were obtained via cold percolation from the aerial parts (flowers, leaves, and stems) using dichloromethane (DCM) and from the rhizomes using chloroform.
Riddhiman Lahiri, Ravendra Kumar, Sushila Arya, Alok Pratap Singh, Sakshi Negi, Shivang Joshi, Pooja Bargali, Suraj N. Mali, Shilpi Rawat, Mozaniel Santana de Oliveira, Prahlad Sarkar   +10 more
wiley   +1 more source

Fragment-based drug discovery and synthesis of SARS-CoV-2 therapeutics [PDF]

, 2022
Since the novel SARS-CoV-2 was first identified in late 2019, numerous waves of the virus have hit communities around the world, affecting public health, mentalhealth, economies, and more.
Johnson, Hannah, \u2722
core   +1 more source

In Silico and In Vitro Antiurolithic Effect of Extracts, Fractions, and Isolated Compounds From Eugenia mattosii

Chemistry &Biodiversity, Volume 23, Issue 4, April 2026.
ABSTRACT Urolithiasis, a condition characterized by the formation of calcium oxalate stones in the urinary tract, remains a significant clinical challenge due to the limited availability of effective preventive therapies. This study investigated the antiurolithic potential of different preparations from Eugenia mattosii, a plant rich in phenolic ...
Bianca Letícia Maciél, Luma Da Silva Portella, Camile Cecconi Cechinel‐Zanchett, Anelize Dada, Rita de Cássia Vilhena da Silva, Anelise Felício Macarini, Valdir Cechinel Filho, Priscila de Souza, Giovana Vechi   +8 more
wiley   +1 more source

Antiproliferative Effect of 24‐Deoxysericoside From Terminalia macroptera Guill. & Perr. (Combretaceae) Against Breast Carcinoma: In Vitro, Molecular Docking and ADME Assessment

Cancer Reports, Volume 9, Issue 4, April 2026.
ABSTRACT Background Terminalia macroptera (Combretaceae) is an important medicinal plant in the traditional pharmacopeia in most tropical areas, where its different parts are used in treating illnesses including cancer. Aims In this study, two oleanane‐type triterpenoids: terminolic acid (TM32) and arjungenin (TM34), together with three saponins ...
Romeo Toko Feunaing, Alfred Ngenge Tamfu, Abel Joel Yaya Gbaweng, Cyrille Leonel Tchuente Djoko, Emmanuel Talla, El Hassane Anouar, Stephane Zingue   +6 more
wiley   +1 more source

In Silico Pharmacological Prediction of Capitavine, Buchenavianine and Related Flavonoid Alkaloids

Chemistry Proceedings
Flavonoid alkaloids represent an interesting subgroup of the alkaloid family. Several plants containing flavonoid alkaloids are used in folk medicine for the treatment of various diseases. The interesting biological properties of flavonoid alkaloids make
Renata Gašparová, Natália Kabaňová
doaj   +1 more source

Network Pharmacological Analysis and Experimental Verification of the Anti-hepatocellular Carcinoma Activity and Mechanism of Sesamolin [PDF]

Shipin Kexue
This study aimed to investigate the anti-tumor effect of sesamolin (SES) on hepatocellular carcinoma (HCC) and its molecular mechanism using network pharmacology and experimental verification.
CAO Rong’an, ZHANG Jiamiao, HOU Wenshuang, WANG Anqi, GUAN Jundong, JIN Chenghao
doaj   +1 more source