From the protein's perspective: the benefits and challenges of protein structure-based pharmacophore modeling
MPA Sanders, R McGuire, L Roumen, IJP de Esch… - …, 2012 - pubs.rsc.org
A pharmacophore describes the arrangement of molecular features a ligand must contain to
efficaciously bind a receptor. Pharmacophore models are developed to improve molecular …
efficaciously bind a receptor. Pharmacophore models are developed to improve molecular …
DEEPScreen: high performance drug–target interaction prediction with convolutional neural networks using 2-D structural compound representations
The identification of physical interactions between drug candidate compounds and target
biomolecules is an important process in drug discovery. Since conventional screening …
biomolecules is an important process in drug discovery. Since conventional screening …
Fragment-based drug discovery and molecular docking in drug design
T Wang, MB Wu, ZJ Chen, H Chen… - Current …, 2015 - ingentaconnect.com
Fragment-based drug discovery (FBDD) has caused a revolution in the process of drug
discovery and design, with many FBDD leads being developed into clinical trials or …
discovery and design, with many FBDD leads being developed into clinical trials or …
[HTML][HTML] Physicochemical characterisation, molecular docking, and drug-likeness evaluation of hypotensive peptides encrypted in flaxseed proteome
In this study, hypotensive peptides derived from mature flaxseed protein sequences were
predicted in silico using BIOPEP-UWM with nine proteases, three each from digestive, plant …
predicted in silico using BIOPEP-UWM with nine proteases, three each from digestive, plant …
Kinetics and Molecular Docking Studies of the Inhibitions of Angiotensin Converting Enzyme and Renin Activities by Hemp Seed (Cannabis sativa L.) Peptides
Four novel peptide sequences (WVYY, WYT, SVYT, and IPAGV) identified from an
enzymatic digest of hemp seed proteins were used for enzyme inhibition kinetics and …
enzymatic digest of hemp seed proteins were used for enzyme inhibition kinetics and …
Evaluating molecular mechanism of hypotensive peptides interactions with renin and angiotensin converting enzyme
R He, RE Aluko, XR Ju - PloS one, 2014 - journals.plos.org
Our previous study showed that three rapeseed protein-derived peptides (TF, LY and RALP)
inhibited the in vitro activities of angiotensin converting enzyme (ACE) and renin. Oral …
inhibited the in vitro activities of angiotensin converting enzyme (ACE) and renin. Oral …
[HTML][HTML] Pharmacophore modeling, virtual screening, and molecular docking studies for discovery of novel Akt2 inhibitors
J Fei, L Zhou, T Liu, XY Tang - International journal of medical …, 2013 - ncbi.nlm.nih.gov
Akt2 is considered as a potential target for cancer therapy. In order to find novel Akt2
inhibitors which have different scaffolds, structure-based pharmacophore model and 3D …
inhibitors which have different scaffolds, structure-based pharmacophore model and 3D …
Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors
Background Renin has become an attractive target in controlling hypertension because of
the high specificity towards its only substrate, angiotensinogen. The conversion of …
the high specificity towards its only substrate, angiotensinogen. The conversion of …
Chemical constituents, pharmacological activities, and uses of common ayurvedic medicinal plants: a future source of new drugs
Natural products, especially plants and herbs, have always been a common medicament
source, either as pure active principles or traditional preparations. Traditional medicine has …
source, either as pure active principles or traditional preparations. Traditional medicine has …
Epidemiology and economic burden of measles, mumps, pertussis, and varicella in Germany: a systematic review
O Damm, J Witte, S Wetzka, C Prosser, S Braun… - International Journal of …, 2016 - Springer
Objectives Despite the availability of vaccines and the existence of public vaccination
recommendations, outbreaks of vaccine-preventable childhood diseases still cause public …
recommendations, outbreaks of vaccine-preventable childhood diseases still cause public …