Results 31 to 40 of about 31,497 (236)

ADMET.

, 2013
Modelled ADMET (Absorption, Distribution, Metabolism, Elimination and Toxicity) properties of our first four lead compounds using ADMET predictor. These results shown that toxicity of our molecules is minimal compare to protease inhibitor or Maraviroc ...
Geneviève Allaire (431974), Karianne P. St-Gelais (431975), Alexandra A. Lambert (359952), Caroline Gilbert (85030), Michel J. Tremblay (146407), Arezki Azzi (431973), Sheng-Xiang Lin (181047)   +6 more
core   +1 more source

Denoising Drug Discovery Data for Improved ADMET Property Prediction [PDF]

Predicting ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of small molecules is a key task in drug discovery. A major challenge in building better ADMET models is the experimental error inherent in the data. Furthermore,
Matthew, Adrian, Alan, Cheng, Yunsie, Chung   +2 more
core   +2 more sources

Ultra‐White Elastomeric Coatings for Daytime Radiative Cooling

Advanced Materials Technologies, EarlyView.
Passive daytime radiative cooling meets elasticity in a new class of ultra‐white silicone coatings. Combining high solar reflectance with strong sky‐window emission, they hold surfaces below ambient temperature under full sunlight while remaining flexible and stretchable. This combination of cooling performance and mechanical flexibility enables energy‐
Abdulrahman Aljwirah, Xiaojie Liu, Khalid Alhammadi, Orlando G. Rivera Gonzalez, Won‐June Lee, Xiulin Ruan   +5 more
wiley   +1 more source

Predicting the biological activity of selected phytochemicals in Alsophila spinulosa leaves against 4-aminobutyrate-aminotransferase: A potential antiepilepsy agents

Eclética Química
The use of medicinal plants as an alternative mean of treating various diseases has drawn the attention of several researchers. The desire to find lasting solutions to epilepsy among humans increases every day.
Oyebamiji Abel Kolawole, Olujinmi Faith Eniola, Akintelu Sunday Adewale, Adetuyi Babatunde, Ogunlana Olubanke, Semire Banjo, Akintayo Emmanuel Temitope, Akintayo Cecilia Olufunke, Babalola Jonathan Oyebamiji, Olawoye Bolanle Mary, Aworinde Juliana Oluwasayo   +10 more
doaj   +1 more source

A Novel IDO1/NE Dual Inhibitor, IMM‐H018 Prevents the Primary and Secondary Sepsis and Ameliorates the Kidney Injury Through Inhibiting the Cytokine Storm and Microthrombosis, and Reversing Immunosuppression

Advanced Science, EarlyView.
IMM‐H018, a dual IDO1/NE inhibitor, demonstrates potent therapeutic efficacy in sepsis by simultaneously targeting excessive inflammation and immune dysfunction. It prevents both primary and secondary sepsis through anti‐inflammatory, immune‐restoring, and renoprotective mechanisms, reducing organ damage, improving immune homeostasis, preserving kidney
Yi Zhou, Xiaodi Zhao, Xiaochen Pan, Zhiling Ma, Huaqing Cui, Hui Wen, Peng Wang, Xiufeng Liao, Kejie Qin, Yuchen Wang, Li Sheng, Sen Zhang   +11 more
wiley   +1 more source

Investigating emodin derivatives against SARS-CoV-2 found in medicinal herbs

Kuwait Journal of Science
SARS-CoV-2 continues to mutate and circulate at alarming levels around the world and is exemplified by the emergence of the new variant JN.1.
Usha T., Hemavathi K.N., Goyal A.K.
doaj   +1 more source

Special issue devoted to the IAPC-10 Meeting: Joint World Conferences on Physico-Chemical Methods in Drug Discovery and Development and on ADMET and DMPK [PDF]

The present issue of ADMET and DMPK is dedicated to the IAPC-10 Meeting, which was organized as a joint event consisting of 10th World Conference on Physico-Chemical Methods in Drug Discovery and Develop¬ment and 6th World Conference on ADMET and DMPK ...
Tatjana Verbić, Zoran Mandić, Mandić, Zoran, Verbić, Tatjana   +3 more
core   +1 more source

Beyond Conventional: A Review of Phytochemical‐Hydrogel Systems Enhanced by AI and 3D Printing for Chronic Wound Management

Advanced Science, EarlyView.
This review systematically bridges chronic wound pathology with natural phytochemical hydrogel therapeutics. A pathology‐to‐phytochemical mechanistic mapping framework is established, linking specific wound hallmarks to targeted phytochemical interventions.
Yitao Zhou, Xing Liu, Cuiyi Wang, Xiaoxuan Zhao, Pengrun Zhang, Jingjing Gu, Qiuhua Sun, Malcolm Xing, Yeqin Yang   +8 more
wiley   +1 more source

Bio-active components of Cymbopogon martinii essential oil as therapeutics targeting bacterial Penicillin-Binding-Proteins (PBPs): Aroma profile, in silico-docking, pharmacokinetics, and wet-lab validation

Journal of BioScience and Biotechnology, 2023
Cymbopogon martinii, also known as Palmarosa, is an underutilized plant in the tropical region. Due to its outstanding antioxidant potential, it has been used as a part of conventional medicine and beauty product.
Amrita Chauhan, Arun Dev Sharma, Inderjeet Kaur   +2 more
doaj  

Benchmarking ML in ADMET predictions: the practical impact of feature representations in ligand-based models [PDF]

This study, focusing on predicting Absorption, Distribution, Metabolism, Excretion, and Toxicology (ADMET) properties, addresses the key challenges of ML models trained using ligand-based representations.
Tanya, Paquet, Gintautas, Kamuntavičius, Povilas, Norvaišas, Roy, Tal, Hisham Abdel, Aty, Alvaro, Prat, Orestis, Bastas, Dainius, Šalkauskas   +7 more
core   +1 more source