Results 71 to 80 of about 31,497 (236)

Larvicidal Activities of 2-Aryl-2,3-Dihydroquinazolin -4-ones against Malaria Vector Anopheles arabiensis, In Silico ADMET Prediction and Molecular Target Investigation

Molecules, 2020
Malaria, affecting all continents, remains one of the life-threatening diseases introduced by parasites that are transmitted to humans through the bites of infected Anopheles mosquitoes.
Katharigatta N. Venugopala, Pushpalatha Ramachandra, Christophe Tratrat, Raquel M. Gleiser, Subhrajyoti Bhandary, Deepak Chopra, Mohamed A. Morsy, Bandar E. Aldhubiab, Mahesh Attimarad, Anroop B. Nair, Nagaraja Sreeharsha, Rashmi Venugopala, Pran Kishore Deb, Sandeep Chandrashekharappa, Hany Ezzat Khalil, Osama I. Alwassil, Sara Nidal Abed, Yazan A. Bataineh, Ramachandra Palenge, Michelyne Haroun, Shinu Pottathil, Meravanige B. Girish, Sabah H. Akrawi, Viresh Mohanlall   +23 more
doaj   +1 more source

ADMET profiling prediction of the studied ligands.

, 2023
ADMET profiling prediction of the studied ligands.
Nobendu Mukerjee (12152507), Shopnil Akash (13866545), Ajoy Kumer (9352503), Md. A. K. Azad (17137905), Farjana Islam Aovi (17137902), Md. Mominur Rahman (11837861), Imren Bayıl (17137908), Rohit Sharma (286462), Summya Rashid (9286749), Md. Rezaul Islam (16614411), Unesco Chakma (13244336)   +10 more
core   +1 more source

Signal detection and characterisation of a novel drug–drug interaction between methadone and a synthetic cannabinoid receptor agonist

British Journal of Pharmacology, EarlyView.
Background and Purpose Little is known about how synthetic cannabinoid receptor agonist (SCRA) co‐use with other psychoactive substances may exacerbate risk of death. This study aimed to characterise the polypharmacy of deaths where SCRAs were detected at post‐mortem, investigate the cardiotoxicity of SCRAs and probe their inhibition of human ether‐a ...
Kirsten L. Rock, Louise M. Hesketh, Hongwei Cheng, Shuoqi Chen, Simon Hudson, Graeme Henderson, Jules C. Hancox, Michael J. Shattock, Michael J. Curtis, Caroline S. Copeland   +9 more
wiley   +1 more source

Natural product‐derived TRPM7 channel inhibitors in neurological injury: Mechanisms, pharmacological potential and translational challenges

British Journal of Pharmacology, EarlyView.
Disruption of intracellular ionic homeostasis is a convergent pathological feature across diverse neurological injuries and disorders, including ischaemic and haemorrhagic stroke, hypoxic–ischaemic brain injury, traumatic brain injury, epilepsy and brain tumour.
Xinyang Zhang, Hio Lam Ho, F. David Horgen, Andrea Fleig, Zhong‐Ping Feng, Hong‐Shuo Sun   +5 more
wiley   +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

Discours de la honte et de l'entre‐deux linguistique et culturel chez les écrivains « transfuges » Annie Ernaux, Nicolas Mathieu et Lori Saint‐Martin

Orbis Litterarum, EarlyView.
Résumé En s'appuyant sur la théorie bourdieusienne, le présent article se donne pour objectif d'analyser comment le « transfuge de classe » devient un élément incontournable et un moyen primordial d'ascension sociale dans La Place (1983) d'Annie Ernaux, Connemara (2022) de Nicolas Mathieu et Pour qui je me prends (2020) de Lori Saint‐Martin. L'étude de
Anna Ledwina, Dumitra Baron, Domingo Pujante González   +2 more
wiley   +1 more source

Computational strategies to address therapeutic resistance in estrogen receptor‐positive breast cancer: A narrative review of molecular docking, molecular dynamics simulations, and emerging therapeutic targets

Clinical and Translational Discovery, Volume 6, Issue 5, October 2026.
Computational drug discovery integrates molecular docking, molecular dynamics simulations, and translational clinical targeting to identify next‐generation therapeutics that overcome endocrine resistance in ER‐positive breast cancer. Combined with multi‐omics, artificial intelligence, and biomarker‐guided precision oncology, these approaches accelerate
Emmanuel Ifeanyi Obeagu, Yaregal Asres
wiley   +1 more source

Bio‐guided fractionation of (9Z )‐5,8,11‐trihydroxyoctadec‐9‐enoic acid from Abelmoschus sagittifolius root as a potent α‐glucosidase inhibitor: An integrated in vitro and in silico study

Journal of the Science of Food and Agriculture, Volume 106, Issue 13, Page 7735-7746, October 2026.
Abstract BACKGROUND Abelmoschus sagittifolius stands out as a valuable medicinal source for developing functional food targeting type 2 diabetes. This study investigated the α‐glucosidase inhibitory potential of an active fraction obtained from A. sagittifolius roots (ASR), enriched in (9Z)‐5,8,11‐trihydroxyoctadec‐9‐enoic acid (OA), using both enzyme ...
Nguyen Phuong Mai, Nguyen Van Quan, Nguyen Dang Duc, Tran Dang Xuan   +3 more
wiley   +1 more source

Screening of active compounds using ADMET criteria.

, 2023
Screening of active compounds using ADMET criteria.
Raghu Ram Achar (12378555), Ekaterina Silina (12378549), Tejaswini Maradesha (14522546), Ashwini Prasad (10209936), Shashank M. Patil (12378534), Victor Stupin (12378552), Ramith Ramu (2579491), Reshma Mary Martiz (12378531), Abdullatif Taha Babakr (14502494)   +8 more
core   +1 more source

A Blood–Brain Barrier‐Permeable Guanylhydrazone Analogue of the ASIC3 Activator GMQ Inhibits Human Glioblastoma Stem Cell Growth In Vitro

ChemMedChem, Volume 21, Issue 18, 28 September 2026.
The acid‐sensing ion channel 3 (ASIC3), physiologically located in the peripheral nervous system, was found in stem cells of CNS‐located glioblastoma multiforme (GBM CSCs); its chronic activation in the CNS kills dysfunctional GBM CSCs with no effect on ASIC3‐lacking CNS tissues.
Leonardo Maiorana, Nicoletta Collura, Andrea Gotti, Giulia De Leonardis, Greta Donati, Alice Maiocchi, Luciana Marinelli, Andrea Menegon, Pierfausto Seneci   +8 more
wiley   +1 more source