Computational Biology and Chemistry

Exploring antiviral potency of <em>N</em>-1 substituted pyrimidines against HIV-1 and other DNA/RNA viruses: Design, synthesis, characterization, ADMET analysis, docking, molecular dynamics and biological activity

Publication date: Available online 27 June 2023Source: Computational Biology and ChemistryAuthor(s): Ritika Srivastava, Sunil K. Gupta, Farha Naaz, Parth Sarthi Sen Gupta, Madhu Yadav, Vishal Kumar Singh, Saroj Kumar Panda, Satyaranjan Biswal, Malay Ku…

By ScienceDirect Publication: Computational Biology and Chemistry, ago

Halogenated class of oximes as a new class of monoamine oxidase-B inhibitors for the treatment of Parkinson’s disease: Synthesis, biochemistry, and molecular dynamics study

Publication date: August 2023Source: Computational Biology and Chemistry, Volume 105Author(s): Della Grace Thomas Parambi, Jong Min Oh, Sunil Kumar, Sachithra Thazhathuveedu Sudevan, Omnia Magdy Hendawy, Mohamed A. Abdelgawad, Arafa Musa, Mohammad M. A…

By ScienceDirect Publication: Computational Biology and Chemistry, ago