Results 251 to 260 of about 36,254 (282)

Identification of p38α MAP kinase inhibitors by pharmacophore based virtual screening

Journal of Molecular Graphics and Modelling, 2014
The p38α mitogen-activated protein (MAP) kinase plays a vital role in treating many inflammatory diseases. In the present study, a combined ligand and structure based pharmacophore model was developed to identify potential DFG-in selective p38 MAP kinase inhibitors. Conformations of co-crystallised inhibitors were used in the development and validation
Gangwal, Rahul P, Das, Nihar R, Thanki, Kaushik, Damre, Mangesh V, Dhoke, Gaurao V, Sharma, Shyam S, Jain, Sanyog, Sangamwar, Abhay T   +7 more
openaire   +3 more sources

Molecular dynamics guided insight, binding free energy calculations and pharmacophore-based virtual screening for the identification of potential VEGFR2 inhibitors

Journal of Receptor and Signal Transduction Research, 2019
Vascular endothelial growth factor-A (VEGF-A) is a crucial member of the Vascular endothelial growth factor (VEGF) family which mediates the metastasis of tumor by ‘angiogenic switch’.
E. Rathi, Avinash Kumar, S. Kini
semanticscholar   +1 more source

Docking- and pharmacophore-based virtual screening for the identification of novel Mycobacterium tuberculosis protein tyrosine phosphatase B (MptpB) inhibitor with a thiobarbiturate scaffold.

Bioorganic chemistry (Print), 2019
Mycobacterium tuberculosis (Mtb) protein tyrosine phosphatase B (MptpB) is an important virulence factor for Mtb that contributes to survival of the bacteria in macrophages.
Dongfeng Zhang, Yun-Long Lin, Xi Chen, Wenting Zhao, Dong-ni Chen, Meng Gao, Qinglin Wang, Bin Wang, Haihong Huang, Yongjun Lu, Yu Lu   +10 more
semanticscholar   +1 more source

QSAR modeling, pharmacophore-based virtual screening, and ensemble docking insights into predicting potential epigallocatechin gallate (EGCG) analogs against epidermal growth factor receptor

Journal of Receptor and Signal Transduction Research, 2019
Epigallocatechin gallate (EGCG) is a major polyphenols of green tea may have the possibility to inhibit epidermal growth factor receptor (EGFR) activity and lead to reduce non-small cell lung cancer (NSCLC) progression.
U. Bommu, Kranthi Kumar Konidala, Neeraja Pabbaraju, Suneetha Yeguvapalli   +3 more
semanticscholar   +1 more source

Social determinants of health and US cancer screening interventions: A systematic review

Ca-A Cancer Journal for Clinicians, 2023
Ariella R Korn
exaly  

[Virtual screening for natural CETP inhibitors by structure-based pharmacophore].

Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, 2016
Cholesterol ester transfer protein (CETP) is a key regulator of high density lipoprotein (HDL). Owing to its important role in the reverse of cholesterol transport, CETP has become a hotspot target in modulating lipid drug design. In this paper, structure based pharmacophore (SBP) models for CETP inhibitors were built based on the protein structure ...
Xiao-qian, Huo, Lian-sheng, Qiao, Lu-di, Jiang, Yu-su, He, Gong-yu, Li, Yan-ling, Zhang   +5 more
openaire   +1 more source

Drug Design by Pharmacophore and Virtual Screening Approach

Pharmaceuticals, 2022
Deborah Giordano, Angelo Facchiano
exaly  

Pharmacophore-based Virtual Screening in Drug Discovery

2008
Christian Laggner, Gerhard Wolber, Johannes Kirchmair, Daniela Schuster, Thierry Langer   +4 more
openaire   +1 more source

- Pharmacophore Modeling and Pharmacophore-Based Virtual Screening

2015
openaire   +2 more sources

Racial and socioeconomic disparities in lung cancer screening in the United States: A systematic review

Ca-A Cancer Journal for Clinicians, 2021
Ernesto Sosa, Dan J Raz, Jae Kim
exaly