Design, Network Analysis and In Silico Modeling of Biologically Significant 4-(substituted benzyl)-2-Amino-6-HydroxyPyrimidine-5-Carboxamide Nanoparticles

Abstract

The synthesized 4-(4-hydroxy benzyl)-2-amino-6-hydroxy pyrimidine-5-carboxamide was chosen to perform in silico modeling with identified drug target AGT, TNF, F2 and BCL2L1. The identified human proteins are vital in the pain management and also an important target for the study of wound healing activity. The enzymes were identified by using BioGRID, string database and network analysis through Cytoscape software. The wound healing activity was evaluated by excision wound model. The observed results revealed that, the pyrimidine nanoparticles showed significant wound healing activity compared to standard and synthesized compound. The detailed synthesis of nanoparticles formulation spectral analysis and pharmacological screening data's were reported. The revealed reports of synthesized analogues and formulated nanoparticles will generate a very good impact to the chemists and research scholars for further investigations in wound healing and pain management.

Graph Theoretical Analysis, Insilico Modeling and Formulation of Pyrimidine Nanoparticles as p38α MAP Kinases inhibitors: A Quantitative Proteomics Approach

“…The synthetic strategy to prepare the target compounds is depicted in earlier reported ▶Fig. 3 [29]. The equimolar mixture of 4-hy-▶Fig.…”

Graph Theoretical Analysis, In Silico Modeling, Synthesis, Anti-Microbial and Anti-TB Evaluation of Novel Quinoxaline Derivatives

“…The "Sybyl-x 2.0, Tripos International, St. Louis, MO, USA, 2012. ", was used to perform screening of docking based on earlier reported method [20]. The crystal structure of Protein kinase PknG from Mycobacterium tuberculosis in Complex with Tetrahydrobenzothiophene (PDB ID 2PZI) was extracted from the Brookhaven Protein Database (PDB http://www.rcsb.org/pdb).…”