Results 11 to 20 of about 94,628 (218)

Metabolite Profiling and Anticancer Evaluation of Iraqi Haloxylon articulatum Halophyte via LC-HRMS/MS, Molecular Docking, and ADMET Analysis. [PDF]

Chem Biodivers
This study investigates the phytochemical composition and biological activities of a hydroalcoholic extract of Haloxylon articulatum. LC‐HRMS/MS identified diverse bioactive compounds, notably N‐caffeoyltyramine and sinapoyltyramine. The extract exhibited strong antioxidant activity and significant cytotoxic effects against gastric cancer cell lines ...
Abidi J, Hassena AB, Hmida RB, Kulinowski Ł, Aytar EC, Al-Rashidi RR, Bouaziz M.   +6 more
europepmc   +2 more sources

VALUATION OF THE ANTI-LEISHMANIAL POTENTIAL OF SOME PROMINENT LEAD COMPOUNDS AGAINST PYRIDOXAL KINASE IN COMPLEX WITH ADENOSINE DIPHOSPHATE AND PYRIDOXINE: A COMPARATIVE STUDY [PDF]

Acta Scientifica Malaysia
More than twelve million individuals globally suffer from leishmaniasis, and an additional billion people are at risk in leishmaniasis prevalent areas. This work was motivated by the need to create drugs with high efficacies against leishmaniasis and to ...
Fabian Audu Ugbe, Abdullahi Muhammad Ayuba, Emmanuel Israel Edache, Anne Jibrin, Oluwagbemiga Tayo Amusan   +4 more
doaj   +1 more source

Mechanistic inhibition of Monkeypox and Marburg virus infection by O-rhamnosides and Kaempferol-o-rhamnosides derivatives: a new-fangled computational approach

Frontiers in Cellular and Infection Microbiology, 2023
The increasing incidence of Monkeypox virus (Mpox) and Marburg virus (MARV) infections worldwide presents a significant challenge to global health, as limited treatment options are currently available.
Md. Abdullah Al Mashud, Ajoy Kumer, Nobendu Mukerjee, Nobendu Mukerjee, Akhel Chandro, Swastika Maitra, Unesco Chakma, Unesco Chakma, Abhijit Dey, Shopnil Akash, Athanasiosis Alexiou, Athanasiosis Alexiou, Azmat Ali Khan, Amer M. Alanazi, Arabinda Ghosh, Kow-Tong Chen, Kow-Tong Chen, Rohit Sharma   +17 more
doaj   +1 more source

Quantitative Structure-Activity relationship, Molecular Docking and ADMET Screening of Tetrahydroquinoline Derivatives as Anti-Small Cell Lung Cancer Agents

Eclética Química, 2023
Lung carcinoma (LC) is responsible for almost one-third of all cancer fatalities worldwide. Tetrahydroquinoline is an organic molecule that is the semi-hydrogenated derivative of quinoline and could be found in several naturally occurring compounds such ...
Ehimen Annastasia Erazua, Abel Kolawole Oyebamiji, Sunday Adewale Akintelu, Pelumi Daniel Adewole, Adedayo Adelakun, Babatunde Benjamin Adeleke   +5 more
doaj   +1 more source

FP-ADMET: a compendium of fingerprint-based ADMET prediction models [PDF]

Journal of Cheminformatics, 2021
Abstract Motivation The absorption, distribution, metabolism, excretion, and toxicity (ADMET) of drugs plays a key role in determining which among the potential candidates are to be prioritized. In silico approaches based on machine learning methods are becoming increasing popular, but are nonetheless limited by the ...
openaire   +3 more sources

In Silico Insights into the Efficacy of Darjeeling Himalaya’s Traditional Fermented Beverages To Combat Various High-Altitude Sicknesses

Acta Universitatis Cibiniensis. Series E: Food Technology, 2023
This in silico study has been designed to validate ethnomedicinal properties of some Himalayan fermented ethnic beverages against varied high-altitude sicknesses.
Majumder Soumya, Chakraborty Sourav, Ghosh Arindam, Bhattacharya Malay   +3 more
doaj   +1 more source

Experimental versus theoretical log D_7.4, pK_a and plasma protein binding values for benzodiazepines appearing as new psychoactive substances [PDF]

, 2018
The misuse of benzodiazepines as new psychoactive substances is an increasing problem around the world. Basic physicochemical and pharmacokinetic data is required on these substances in order to interpret and predict their effects upon humans ...
Manchester, Kieran R., Maskell, Peter D., Waters, Laura   +2 more
core   +2 more sources

Simulated rat intestinal fluid improves oral exposure prediction for poorly soluble compounds over a wide dose range [PDF]

, 2016
Solubility can be the absorption limiting factor for drug candidates and is therefore a very important input parameter for oral exposure prediction of compounds with limited solubility.
Bernard Faller, Frank H. Seiler, Jörg Berghausen, Nathalie Gobeau   +3 more
core   +14 more sources

In Silico Insight to Identify Potential Inhibitors of BUB1B from Mushroom Bioactive Compounds to Prevent Breast Cancer Metastasis

Frontiers in Bioscience-Landmark, 2023
Background: Breast cancer is one of the most common types of cancer among women worldwide, and its metastasis is a significant cause of mortality. Therefore, identifying potential inhibitors of proteins involved in breast cancer metastasis is crucial for
Divya Mishra, Ashish Mishra, Sachchida nand Rai, Santosh kumar Singh, Emanuel Vamanu, Mohan P. Singh   +5 more
doaj   +1 more source

Virtual screening for NS5B inhibitors of Hepatitis C virus [PDF]

, 2012
Hepatitis C Virus (HCV) infection is a serious cause of chronic liver disease worldwide with more than 170 million infected individuals at a risk of developing significant morbidity and mortality.
Achuthsankar S. Nair, Amjesh R, Sugunan V.S.   +2 more
core   +2 more sources