Results 91 to 100 of about 1,051,632 (234)

Quantitatif Structure-Activity Relationship Analysis of a Carbazole Analog Compounds as Antibacterial using Electronical Descriptors

Journal of Tropical Pharmacy and Chemistry, 2014
The Quantitatif Structure-Activity Relationship (QSAR) study has been established on 13 Carbazole analog compounds to their antibacterial activity using electronical descriptors. The development of computational chemistry, in particular quantum chemical
Islamudin Ahmad
doaj   +1 more source

Digital twins to accelerate target identification and drug development for immune‐mediated disorders

FEBS Open Bio, Volume 16, Issue 6, Page 1048-1059, June 2026.
Digital twins integrate patient‐derived molecular and clinical data into personalised computational models that simulate disease mechanisms. They enable rapid identification and validation of therapeutic targets, prediction of drug responses, and prioritisation of candidate interventions.
Anna Niarakis, Philippe Moingeon
wiley   +1 more source

Vocabulaire 3D - Lexique pour les Sciences Humaines et Sociales [PDF]

, 2020
"Ce document est le résultat d’un effort continu pour permettre aux acteurs des SHS et ceux de la 3D d’interagir autour d’un vocabulaire commun. Ce lexique a pour but d’accompagner les différents livrables du consortium 3D.
Consortium 3D SHS Team
core  

Polar Lattice‐Distorted Motifs Enable Synergy of Local Polarization/Dipole Fields for Concurrent Glyphosate Wastewater Remediation and CO Evolution

Advanced Science, Volume 13, Issue 36, 29 June 2026.
Photocatalytic treatment of glyphosate herbicide in agricultural wastewater is achieved through the cooperative effect of the local polarization field and dipole field mediated by lattice‐distorted carbon nitride. Glyphosate is completely degraded via selective C─P bond cleavage with a CO evolution rate of 1166 µmol g−1 h−1.
Daoping Chen, Huan Liu, Tengyu Liu, Jie Li, Qizhi Luo, Yan Zhang, Shengkun Li, Hu Li   +7 more
wiley   +1 more source

Molecular docking and quantitative structure-activity relationships for a series of Trypanosoma cruzi dihydroorotate dehydrogenase inhibitors [PDF]

Brazilian Journal of Pharmaceutical Sciences
Caused by the protozoan Trypanosoma cruzi, Chagas disease affects six to seven million people worldwide, mainly in Latin America. The drugs currently available for treating the disease are ineffective during its chronic phase and have serious adverse ...
Gabriela Ciffeli de Jesus, Tatiana Santana Ribeiro, Adriano D. Andricopulo, Leonardo Luiz Gomes Ferreira   +3 more
doaj   +1 more source

Decoding Aquaculture's Future: A Review of Molecular Docking and Simulation in Enhancing Growth and Disease Resistance

Aquaculture, Fish and Fisheries, Volume 6, Issue 3, June 2026.
ABSTRACT Aquaculture has overtaken capture fisheries as the main source of aquatic animal protein, marking a critical step in global food security. Yet, rapid intensification faces major challenges, including disease outbreaks, environmental degradation, and dependence on wild‐caught fish for feed.
Suvadip Ghara, Iyyappan Somasundaram, Mohd Ashraf Rather, Mukilan Aakash, Mary Divya B, Irfan Ahmad Bhat, Irfan Ahmad Khan, Vlastimil Stejskal, Elayaraja Sivaramasamy   +8 more
wiley   +1 more source

[Article] 3D digital recording of archaeological, architectural and artistic heritage [PDF]

, 2020
3D DIGITAL RECORDING OF ARCHAEOLOGICAL, ARCHITECTURAL AND ARTISTIC HERITAGE
Consortium 3D SHS Team
core  

Artificial Intelligence for Bone: Theory, Methods, and Applications

Advanced Intelligent Discovery, Volume 2, Issue 3, June 2026.
Advances in artificial intelligence (AI) offer the potential to improve bone research. The current review explores the contributions of AI to pathological study, biomarker discovery, drug design, and clinical diagnosis and prognosis of bone diseases. We envision that AI‐driven methodologies will enable identifying novel targets for drugs discovery. The
Dongfeng Yuan, Haicang Zhang, Liping Tong, Di Chen   +3 more
wiley   +1 more source

The integration of pharmacophore-based 3D QSAR modeling and virtual screening in safety profiling: A case study to identify antagonistic activities against adenosine receptor, A2A, using 1,897 known drugs.

PLoS ONE, 2019
Safety pharmacology screening against a wide range of unintended vital targets using in vitro assays is crucial to understand off-target interactions with drug candidates.
Fan Fan, Dora Toledo Warshaviak, Hisham K Hamadeh, Robert T Dunn   +3 more
doaj   +1 more source

Archéologie :imagerie numérique et 3D [PDF]

, 2018
Participation du CST3D SHS au séminaire scientifique organisé par l'IRISA /INRAP. Juin 2018 , Paris. Les communications du séminaire se sont concentrées sur les apports heuristiques de la modélisation 3D et de l’imagerie ...
Consortium 3D SHS Team
core