Results 111 to 120 of about 10,449 (207)

Assessing Drug-Likeness The Natural Compounds of Polar Extract Curcuma xanthorrhiza Rhizome via Lipinski's Rules with SWISSADME Web Tool

Jurnal Indah Sains dan Klinis
Curcuma xanthorrhiza, commonly known as Javanese turmeric, is widely recognized for its medicinal properties, with its polar extract containing various bioactive compounds. This study aims to assess the drug-likeness of natural compounds found in the polar extract of Curcuma xanthorrhiza rhizome using Lipinski's Rule of Five, analyzed through the ...
Sumardi Sumardi, Suprianto Suprianto
openaire   +1 more source

Structural activity of synthesized pyrimidine-thiophene and pyrimidine-thiadiazole conjugates as anticancer agents

Results in Chemistry
New pyrimidine linked thiophene conjugates 5a-d and thiadiazole conjugates 7a-d through a carboxamide bridge were synthesized and characterized by the spectral data (IR, NMR and mass).
Abeer Mogadem, Abrar Bayazeed, Abdulmajeed F. Alrefaei, Sara A. Alqarni, Jihan Qurban, Majid A. Bamaga, E.F.M. El-Zaidia, Nashwa M. El-Metwaly   +7 more
doaj   +1 more source

Design and Synthesis of Hybrid Compounds for Potential Treatment of Bacterial Co-Infections: In Vitro Antibacterial and In Silico Studies

Antibiotics
Background: The need for innovative therapeutic strategies to enhance patient outcomes has increased due to the rise in bacterial co-infections associated with COVID-19. Methods: In this study, ten hybrid compounds were synthesized by combining two known
Vuyolwethu Khwaza, Opeoluwa O. Oyedeji, Eric Morifi, Mutshinyalo Nwamadi, Thierry Youmbi Fonkui, Derek Tantoh Ndinteh, Blessing A. Aderibigbe   +6 more
doaj   +1 more source

A Review of SwissADME in Morden Medicinal Chemistry: Insights on Anti-Cancer, Anti-Tubercular, and Anti-Microbial Agents

International Journal of Current Trends in Pharmaceutical Research
The process of drug discovery has evolved dramatically with the integration of computational tools capable of predicting key pharmacokinetic and physicochemical parameters of small molecules. SwissADME, a freely available web-based tool developed by the Swiss Institute of Bioinformatics, provides medicinal chemists with an efficient platform to assess ...
Mohammad Rafi Shaik, Afroz Patan, Prapurna Chandra Yadala   +2 more
openaire   +1 more source

In silico prediction of octahydro-1H-indole-2-carboxamide derivatives as novel acetylcholinesterase inhibitors: a comprehensive computational study

Egyptian Journal of Medical Human Genetics
Background Alzheimer’s disease (AD) is a progressive neurodegenerative disorder characterised by cognitive decline and memory loss. Acetylcholinesterase (AChE)inhibition remains a crucial therapeutic strategy for AD treatment.
Satyavani Meesala, Swathi Nageswara, Rajkiran Kolakota, Muni Kumar Dokka, Mumpi Giri, Priyadarsini Bada, Vidya Sagar Jerra   +6 more
doaj   +1 more source

Study of the Lipophilicity and ADMET Parameters of New Anticancer Diquinothiazines with Pharmacophore Substituents

Pharmaceuticals
Lipophilicity is one of the principal parameters that describe the pharmacokinetic behavior of a drug, including its absorption, distribution, metabolism, elimination, and toxicity.
Daria Klimoszek, Małgorzata Jeleń, Małgorzata Dołowy, Beata Morak-Młodawska   +3 more
doaj   +1 more source

Design, Synthesis and Antimicrobial Evaluation of Novel Pyridyl-Linked Triazolo[1,5-a]pyrimidine-6-Carboxamide Derivatives [PDF]

The increasing prevalence of antimicrobial resistance necessitates the development of new chemotherapeutic agents with improved efficacy and pharmacokinetic profiles.
Daizy Chouhan, Neelesh Maheshwari
core   +1 more source

Discovery of an EGFR Inhibitor For the Treatment of Lung and Other Cancers [PDF]

, 2019
The Epidermal Growth Factor Receptor (EGFR), a transmembrane protein involved in the regulation of signaling pathways, is frequently overexpressed in epithelial tumors.
Meng, Jodie, \u2720
core   +1 more source

Pharmacokinetics and Toxicity Prediction of Lansium domesticum Corr. [PDF]

A wide range of compounds has been isolated from Lansium domesticum Corr. Secondary metabolites are commonly utilised as valuable resources for potential drug for research and development.
Norhayati, Rizaldi, Gusti
core   +2 more sources

Cu(II)-Catalyzed Synthesis of Pyrazolo[3,4-b]pyridine Derivatives and Their Potential Antibacterial and Cytotoxic Activities with Molecular Docking, DFT Calculation, and SwissADME Analysis

ACS Omega
[Image: see text] The present work focuses on a newly synthesized pyrazolo[3,4-b]pyridine prepared by formal [3 + 3] cycloaddition using copper(II) acetylacetonate as the catalyst; efficient and effective mild reactions with high yields were obtained using this method.
Velmurugan Loganathan, Anis Ahamed, Idhayadhulla Akbar, Desta Galcha Gerbu, Hissah Abdulrahman Alodaini, Aseer Manilal   +5 more
openaire   +2 more sources