Synthesis and Theoretical Study of Bioactive Molecules
A special issue of Current Issues in Molecular Biology (ISSN 1467-3045). This special issue belongs to the section "Biochemistry, Molecular and Cellular Biology".
Deadline for manuscript submissions: 30 June 2024 | Viewed by 1000
Special Issue Editor
Interests: medicinal chemistry; pharmaceutical chemistry; physical chemistry; computational chemistry; anticancer drugs
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Not all synthesized compounds exhibit biological activity. Therefore, biological evaluation of synthesized compounds is required, which is unfortunately expensive and time-consuming. To avoid such problems, theoretical studies exploring molecular mechanics, docking, and molecular dynamics can provide info on the physicochemical properties of a compound and its binding interaction with the expected target receptor. Therefore, this Special Issue focuses on the synthesis of bioactive molecules and theoretically studying their binding with target receptor by using different computational tools.
Dr. Muhammad Khattab
Guest Editor
Manuscript Submission Information
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Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2200 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
Keywords
- synthesis
- computational study
- molecular dynamics
- docking
- biomolecules
- molecular mechanics
- drug discovery
- drug development
