Comparison of various methods for validity evaluation of QSAR models
S Shayanfar, A Shayanfar - BMC chemistry, 2022 - Springer
Background Quantitative structure–activity relationship (QSAR) modeling is one of the most
important computational tools employed in drug discovery and development. The external …
important computational tools employed in drug discovery and development. The external …
[HTML][HTML] P-glycoprotein transporter in drug development
V Prachayasittikul, V Prachayasittikul - EXCLI journal, 2016 - ncbi.nlm.nih.gov
Drug discovery and development is a complex and time consuming process which requires
multidisciplinary expertise (Prachayasittikul et al., 2015a). It is true that bioactive compounds …
multidisciplinary expertise (Prachayasittikul et al., 2015a). It is true that bioactive compounds …
Investigating fluorescence quenching of cysteine-functionalized carbon quantum dots by heavy metal ions: experimental and QSPR studies
M Salahinejad, S Sadjadi, M Abdouss - Journal of Molecular Liquids, 2021 - Elsevier
Carbon quantum dots (CQDs) have potential application as fluorescent probes for the heavy
metal detection. But there are few reports on the investigation of the quenching mechanism …
metal detection. But there are few reports on the investigation of the quenching mechanism …
Application of GA-MLR for QSAR modeling of the arylthioindole class of tubulin polymerization inhibitors as anticancer agents
S Ahmadi, E Habibpour - Anti-Cancer Agents in Medicinal …, 2017 - ingentaconnect.com
Background: Microtubules are dynamic filamentous cytoskeletal proteins which have used
widely in cancer chemotherapy. Generally, the action of these compounds depends on …
widely in cancer chemotherapy. Generally, the action of these compounds depends on …
A novel adaptive ensemble classification framework for ADME prediction
M Yang, J Chen, L Xu, X Shi, X Zhou, Z Xi, R An… - RSC …, 2018 - pubs.rsc.org
It has now become clear that in silico prediction of ADME (absorption, distribution,
metabolism, and elimination) characteristics is an important component of the drug …
metabolism, and elimination) characteristics is an important component of the drug …
Exploring the chemical space of P-glycoprotein interacting compounds
V Prachayasittikul, P Mandi… - Mini Reviews in …, 2017 - ingentaconnect.com
Background: P-glycoprotein (Pgp) is well known for its clinical importance in the
pharmacokinetics of drugs and its role in multidrug resistance. The promiscuity of Pgp that …
pharmacokinetics of drugs and its role in multidrug resistance. The promiscuity of Pgp that …
Large-scale classification of P-glycoprotein inhibitors using SMILES-based descriptors
V Prachayasittikul, A Worachartcheewan… - SAR and QSAR in …, 2017 - Taylor & Francis
P-glycoprotein (Pgp) inhibition has been considered as an effective strategy towards
combating multidrug-resistant cancers. Owing to the substrate promiscuity of Pgp, the …
combating multidrug-resistant cancers. Owing to the substrate promiscuity of Pgp, the …
Development of in silico models for predicting p-glycoprotein inhibitors based on a two-step approach for feature selection and its application to Chinese herbal …
M Yang, J Chen, X Shi, L Xu, Z Xi, L You… - Molecular …, 2015 - ACS Publications
P-glycoprotein (P-gp) is regarded as an important factor in determining the ADMET
(absorption, distribution, metabolism, elimination, and toxicity) characteristics of drugs and …
(absorption, distribution, metabolism, elimination, and toxicity) characteristics of drugs and …
[HTML][HTML] Classification of P-glycoprotein-interacting compounds using machine learning methods
V Prachayasittikul, A Worachartcheewan… - EXCLI …, 2015 - ncbi.nlm.nih.gov
P-glycoprotein (Pgp) is a drug transporter that plays important roles in multidrug resistance
and drug pharmacokinetics. The inhibition of Pgp has become a notable strategy for …
and drug pharmacokinetics. The inhibition of Pgp has become a notable strategy for …
QSAR modeling of the arylthioindole class of colchicine polymerization inhibitors as anticancer agents
E Habibpour, S Ahmadi - Current computer-aided drug design, 2017 - ingentaconnect.com
Background: The health and life of humans have been seriously threatened by cancer for a
long period and cancer has become the leading disease-related cause of deaths of human …
long period and cancer has become the leading disease-related cause of deaths of human …