Results 61 to 70 of about 1,944,029 (193)

Quantitative estimation of drug-likeness (QED) score of 31401 compounds from natural compound library.

, 2023
Quantitative estimation of drug-likeness (QED) score of 31401 compounds from natural compound library.
Razi Ahmad (3906280), Md. Zeyaullah (15295505), Khursheed Muzammil (12289621), Nida Khan (13948811), Mohammad Suhail Khan (11134087), Wajihul Hasan Khan (5143376), Md. Shane Alam (15295511), Abdullah M. AlShahrani (15295508)   +7 more
core   +1 more source

The Beekeeping Sector of Kazakhstan and Contributions to the Pharmaceutical Industry: Promising Flavonoids with the Pharmacokinetic Properties Via the Computational Evaluations [version 1; peer review: 2 approved]

F1000Research
Background Bee products are rich sources of bioactive flavonoids with potential applications in nutraceutical and pharmaceutical research. However, differences in the physicochemical and pharmacokinetic properties of individual flavonoids may ...
Şeyda Kaya, Tulkinzhon Gaipov, Taner Daştan, Zeliha Selamoglu, Nurdana Salybekova, Sevgi Durna Daştan   +5 more
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

The #stars distribution curves of curcumin and analogs (blue line), with 3 standard subsets: drug-likeness = red, lead-likeness = green, and fragment-likeness = violet.

, 2016
The #stars distribution curves of curcumin and analogs (blue line), with 3 standard subsets: drug-likeness = red, lead-likeness = green, and fragment-likeness = violet.
Swagatika Dash (472730), Monalisa Ray (2817634), Dattatreya Kar (2817637), Shikha Singh (22657), Tammanna R. Sahrawat (2817631), Sajad Shahbazi (2817628)   +5 more
core   +1 more source

Fundamental physical and chemical concepts behind "drug-likeness" and "natural product-likeness"

, 2019
The discovery of a drug is known to be quite cumbersome, both in terms of the microscopic fundamental research behind it and the industrial scale manufacturing process.
Ntie-Kang F., Athar M., Bekono B. D., Sona A. N.   +3 more
core   +1 more source

In silico evaluation of drug-likeness and toxicity profiling of selected organic compounds

Bibechana
In silico approaches have become essential tools in modern drug discovery for the therapeutic and cost-effective evaluation of chemical compounds. This study focuses on the assessment of drug-likeness and toxicity profiles of five selected organic ...
Dipak Raj Jaishi, Siddha Raj Ojha, Indra Ojha   +2 more
doaj   +1 more source

Drug-likeness of Phytic Acid and Its Analogues [PDF]

The Open Microbiology Journal, 2015
Inositol hexakisphosphate is known to be the phosphorous reserve in plants particularly in the seeds. Though it has been known for its antinutrient properties for many years, recent research shed light to reveal it as a novel anticancer agent. Hence the present study investigates the drug-likeness of phytic acid and its analogues through bioinformatics
Joy, Amitha, Balaji, S.
openaire   +2 more sources

Drug-likeness Analysis of Traditional Chinese Medicines: Prediction of Drug-likeness Using Machine Learning Approaches

, 2016
Quantitative or qualitative characterization of the drug-like features of known drugs may help medicinal and computational chemists to select higher quality drug leads from a huge pool of compounds and to improve the efficiency of drug design pipelines ...
Junmei Wang (141197), Youyong Li (599854), Sheng Tian (599855), Tingjun Hou (61462), Xiaojie Xu (226885)   +4 more
core   +1 more source

MOLECULAR DOCKING STUDY OF EPIGALLOCATECHIN GALLATE (EGCG) AS A THERAPY FOR TYPE 2 DIABETES MELLITUS

Jurnal Kimia Riset
Epigallocatechin gallate (EGCG) has an effect in reducing sugar levels in the blood by inhibiting α-glucosidase enzyme, which is connected explicitly by hydrogen bonds and modifies the secondary structure and micro-environment of the enzyme reversibly ...
Bambang Wijianto, Ihsahnul Arief, Vanesha Yohana   +2 more
doaj   +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