Results 141 to 150 of about 36,254 (282)

E-Pharmacophore and virtual screening reveal Apium graveolens as a therapeutic prospect for vitiligo

Results in Chemistry
Vitiligo is a skin depigmentation disorder resulting from an autoimmune response targeting melanocytes. A polygenic and multifactorial skin disease, which caused by association of oxidative stress, autoimmune, genetics, neurological system dysfunction ...
Femina Jamal Mohamed, Beena Briget Kuriakose, Amani Hamad Alhazmi, Vinitha Sivasubramaniyan, Sakthi Sasikala Sundaravel, Ling Shing Wong, Karthikeyan Muthusamy   +6 more
doaj   +1 more source

Identification of Potential Multitarget Compounds against Alzheimer's Disease through Pharmacophore-Based Virtual Screening. [PDF]

Pharmaceuticals (Basel), 2023
Mendes GO, Araújo Neto MF, Barbosa DB, Bomfim MRD, Andrade LSM, Carvalho PB, Oliveira TA, Falkoski DL, Maia EHB, Valle MS, Damázio LCM, Silva AMD, Taranto AG, Leite FHA.   +13 more
europepmc   +1 more source

Identification of a PD1/PD‐L1 inhibitor by structure‐based pharmacophore modelling, virtual screening, molecular docking and biological evaluation** [PDF]

, 2023
Anju Choorakottayil Pushkaran, K Kumaran, Ann Maria T, Raja Biswas, C. Gopi Mohan   +4 more
openalex   +1 more source

Development of models for predicting Torsade de Pointes cardiac arrhythmias using perceptron neural networks

, 2017
Blockage of some ion channels and in particular, the hERG cardiac potassium channel delays cardiac repolarization and can induce arrhythmia. In some cases it leads to a potentially life-threatening arrhythmia known as Torsade de Pointes (TdP).
Buzatu, Dan, Harris, Stephen, Sharifi, Mohsen, Wilkes, Jon   +3 more
core   +1 more source

EGFR tyrosine kinase targeted compounds [PDF]

, 2014
In this study, we illustrate computer aided drug design of new benzothiazole and pyrimido[2,1-b]benzothiazole derivatives as epidermal growth factor receptor tyrosine kinase (EGFR-TK) inhibitors.
El-Bendary, Eman R., El-Gohary, Nadia S., El-Kerdawy, Mohamed M., Gabr, Moustafa T.   +3 more
core  

Structure-Based beta-Secretase (BACE1) Inhibitors [PDF]

, 2014
Alois Alzheimer identified first abnormal deformation in the brain of diseased people with mental disorder. The disorder is clinically characterized by a progression from episodic memory problems to a slow global decline of cognitive function, ending ...
Keserű, György Miklós, Polgár, Tímea   +1 more
core  

Discovery of novel RARα agonists using pharmacophore-based virtual screening, molecular docking, and molecular dynamics simulation studies. [PDF]

PLoS One, 2023
Ghorayshian A, Danesh M, Mostashari-Rad T, Fassihi A.   +3 more
europepmc   +1 more source

Combinatorial Pharmacophore-Based 3D-QSAR Analysis and Virtual Screening of FGFR1 Inhibitors [PDF]

, 2015
Nannan Zhou, Yuan Xu, Xian Liu, Yulan Wang, Jianlong Peng, Xiaomin Luo, Mingyue Zheng, Kaixian Chen, Hualiang Jiang   +8 more
openalex   +1 more source

In silico study of structure-based screening of inhibitors to block PrPC conversion and amyloid aggregation

Frontiers in Chemical Biology
Prion diseases are a group of progressive and fatal neurodegenerative diseases, caused by the transformation of cellular prion protein (PrPC) into a misfolded pathogenic isoform (PrPSc).
Kamakshi Ruhela, Subham, Shailendra S. Maurya, Hemlata Dwivedi-Agnihotri, Sumit K. Chaturvedi   +4 more
doaj   +1 more source

AMPA GluA2 subunit competitive inhibitors for PICK1 PDZ domain: Pharmacophore-based virtual screening, molecular docking, molecular dynamics simulation, and ADME studies [PDF]

, 2021
Shravan B. Rathod, Pravin B. Prajapati, Ranjan Pal, Mohmedyasin F. Mansuri   +3 more
openalex   +1 more source