Results 41 to 50 of about 27,071 (245)

Quantifying biogenic bias in screening libraries. [PDF]

, 2009
In lead discovery, libraries of 10(6) molecules are screened for biological activity. Given the over 10(60) drug-like molecules thought possible, such screens might never succeed.
Hert, Jérôme, Irwin, John J, Keiser, Michael J, Laggner, Christian, Shoichet, Brian K   +4 more
core   +1 more source

Effect of Date Palm (Phoenix dactylifera) Phytochemicals on Aβ1−40 Amyloid Formation: An in-silico Analysis

Frontiers in Neuroscience, 2022
Alzheimer's disease (AD) is a neurodegenerative disease and the most prevalent form of dementia. The generation of oxygen free radicals and oxidative damage is believed to be involved in the pathogenesis of AD.
Qamar Zia, Qamar Zia, Md Tabish Rehman, Md Amiruddin Hashmi, Sahabjada Siddiqui, Abdulaziz Bin Dukhyil, Mohammad Z. Ahmed, Azfar Jamal, Azfar Jamal, Saeed Banawas, Saeed Banawas, Saeed Banawas, Sami G. Almalki, Mohammad Owais, Hamad Qasem Aldhafeeri, Ibrahim M. Ibrahim, Wael Alturaiki, Mohamed F. AlAjmi, Mohammed Alsieni, Yaser E. Alqurashi   +19 more
doaj   +1 more source

β-Aminopropioamidoximes derivatives as potential antitubercular agents against anthropozoonotic infections caused by Mycobacterium tuberculosis and Mycobacterium bovis [PDF]

Veterinary World
Background and Aim: Tuberculosis (TB) remains a significant global health challenge, with increasing incidences of drug-sensitive (DS) and multidrug-resistant (MDR) TB.
Lyudmila Kayukova, Venera Bismilda, Kairat Turgenbayev, Asem Uzakova, Gulnur Baitursynova, Umirzak Jussipbekov, Meruyert Mukanova, Lyailya Chingissova, Gulnur Dyussembayeva, Assiya Borsynbayeva, Azamat Yerlanuly, Ablay Auyezov   +11 more
doaj   +1 more source

Antibacterial and antibiofilm activities of Prangos acaulis Bornm. extract against Streptococcus mutans: an in silico and in vitro study [PDF]

, 2018
Introduction: Streptococcus mutans is a principal pathogenic agent in biofilm formation on the teeth surfaces and subsequently development of dental caries and plaque.
Behbahani, Mandana., Mohabatkar, Hassan., Nosrati, Mokhtar., Shakeran, Zahra.   +3 more
core   +2 more sources

In Silico Evaluation of Pharmacokinetics and Toxicity Profile of AlkaloidsPresent in Leaves of Catharanthus roseus L.

RGUHS Journal of Pharmaceutical Sciences
Background Catharanthus roseus Madagascar periwinkle is a well-known medicinal plant that produces a variety of alkaloids with significant pharmacological activities particularly in cancer and diabetes treatment.Aim This study aimed ...
Ramgopal M Dhanwad, Usha R, Ganesh S
doaj   +1 more source

Understanding the foundations of the structural similarities between marketed drugs and endogenous human metabolites

Frontiers in Pharmacology, 2015
Background. A recent comparison showed the extensive similarities between the structural properties of metabolites in the reconstructed human metabolic network (‘endogenites’) and those of successful, marketed drugs (‘drugs’). Results.
Steve eO'Hagan, Douglas Bruce Kell
doaj   +1 more source

Why and When Are Evidence‐Based Interventions Adopted in Paediatric Supportive Care? A Qualitative Exploration of the Determinants of Photobiomodulation Implementation

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Background Oral mucositis is a common and debilitating side effect of childhood cancer and stem cell transplant treatments. It affects the quality of life of children and young people (CYP) and places a strain on services. Photobiomodulation is recommended for oral mucositis prevention in international guidance but is poorly implemented in UK ...
Claudia Heggie, Kara A. Gray‐Burrows, Peter F. Day, Bob Phillips, Carl A. Thompson   +4 more
wiley   +1 more source

Inductive queries for a drug designing robot scientist [PDF]

, 2010
It is increasingly clear that machine learning algorithms need to be integrated in an iterative scientific discovery loop, in which data is queried repeatedly by means of inductive queries and where the computer provides guidance to the experiments that ...
A. Lingas, C. Hansch, C.A. Lipinski, D.R. Jones, D.R. Jones, H. Blockeel, J. Matousek, L. Raedt De, R.D. King, R.D. King, T. Gärtner   +10 more
core   +1 more source

A physicochemical descriptor-based scoring scheme for effective and rapid filtering of kinase-like chemical space

Journal of Cheminformatics, 2012
Background The current chemical space of known small molecules is estimated to exceed 1060 structures. Though the largest physical compound repositories contain only a few tens of millions of unique compounds, virtual screening of databases of this size ...
Singh Narender, Sun Hongmao, Chaudhury Sidhartha, AbdulHameed Mohamed, Wallqvist Anders, Tawa Gregory   +5 more
doaj   +1 more source

Survival Outcomes and Complications Among Canadian Children With Retinoblastoma: A Population‐Based Report From CYP‐C

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Purpose Retinoblastoma (RB) is the most common pediatric ocular cancer, yet population‐based data on survival and risk factors remain limited. This study aimed to describe survival in a large national RB cohort and identify predictors of death and complications.
Samuel Sassine, Ofélie Trudeau‐Ferrin, Caroline Laverdière, Patrick Hamel, Rosanne Superstein, Bénédicte Koukoui, Carole Provost, Paul C. Nathan, Vijay Ramaswamy, Furqan Shaikh, Brenda Gallie, Ashwin Mallipatna, Stephanie Kletke, Helen Dimaras, Hallie Coltin   +14 more
wiley   +1 more source