In-silico activity prediction and docking studies of some 2, 9-disubstituted 8-phenylthio/phenylsulfinyl-9h-purine derivatives as Anti-proliferative agents
In-silico activity prediction was performed to predict new inhibitory activities of 2, 9-
disubstituted 8-phenylthio/phenylsulfinyl-9h-purine derivatives as anti-proliferative agents …
disubstituted 8-phenylthio/phenylsulfinyl-9h-purine derivatives as anti-proliferative agents …
Construction of an MLR-QSAR model based on dietary flavonoids and screening of natural α-glucosidase inhibitors
T Yang, Z Yang, F Pan, Y Jia, S Cai, L Zhao, L Zhao… - Foods, 2022 - mdpi.com
Postprandial hyperglycemia can be reduced by inhibiting α-glucosidase activity. Common α-
glucosidase inhibitors such as acarbose may have various side effects. Therefore, it is …
glucosidase inhibitors such as acarbose may have various side effects. Therefore, it is …
Chemo-informatics activity prediction, ligand based drug design, Molecular docking and pharmacokinetics studies of some series of 4, 6-diaryl-2-pyrimidinamine …
SH Abdullahi, A Uzairu, MT Ibrahim… - Bulletin of the National …, 2021 - Springer
Background The most well-known cause of cancer deaths identified in female is breast
cancer. Several drugs approved by the food and drug administration (FDA) for the treatment …
cancer. Several drugs approved by the food and drug administration (FDA) for the treatment …
Computational modeling of novel quinazoline derivatives as potent epidermal growth factor receptor inhibitors
QSAR modelling on Thirty (34) novel quinazoline derivatives (EGFR WT inhibitors) as non-
small cell lung cancer (NSCLC) agents was performed to develop a model with good …
small cell lung cancer (NSCLC) agents was performed to develop a model with good …
Quantitative structure-activity relationship, molecular docking, drug-likeness, and pharmacokinetic studies of some non-small cell lung cancer therapeutic agents
Background Lung cancer has been reported to be among the leading cancer cases in the
world. It was also reported to have caused a lot of death every year and accounted for about …
world. It was also reported to have caused a lot of death every year and accounted for about …
QSAR, molecular docking, and design of novel 4-(N,N-diarylmethyl amines) Furan-2(5H)-one derivatives as insecticides against Aphis craccivora
Background Aphis craccivora has many plant hosts, though it seemingly forechoice to
groups of bean family. Other plants it hosts are families of Solanaceae, Rosaceae …
groups of bean family. Other plants it hosts are families of Solanaceae, Rosaceae …
Computer-aided molecular modeling studies of some 2, 3-dihydro-[1, 4] dioxino [2, 3-f] quinazoline derivatives as EGFRWT inhibitors
Background Quinazoline are known to possess different biological activities which among is
anti-cancer most especially NSCLC. Epidermal growth factor receptor (EGFR) belongs to the …
anti-cancer most especially NSCLC. Epidermal growth factor receptor (EGFR) belongs to the …
[HTML][HTML] 2D-QSAR, molecular docking, drug-likeness, and ADMET/pharmacokinetic predictions of some non-small cell lung cancer therapeutic agents
MT Ibrahim, A Uzairu - Journal of Taibah University Medical Sciences, 2023 - Elsevier
Stanley Cohen discovered epidermal growth factor receptor (EGFR) in 1956 while working
at Vanderbilt University (Nashville, TN, USA). 1 EGFR is a member of the ErbB family of …
at Vanderbilt University (Nashville, TN, USA). 1 EGFR is a member of the ErbB family of …
QSAR modelling and docking analysis of some thiazole analogues as alfa-glucosidase inhibitors
QSAR modelling and docking studies on 45 thiazole analogues were carried out. The
studied compounds in this research were optimized adopting DFT method at B3LYP function …
studied compounds in this research were optimized adopting DFT method at B3LYP function …
In silico studies of oxadiazole derivatives as potent dengue virus inhibitors
Dengue virus non-structural (NS) protein of the dengue virus serotype 5 receptor plays a
critical role in the replication of the dengue virus and is also a drug target. In principle, NS …
critical role in the replication of the dengue virus and is also a drug target. In principle, NS …