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 447
Special Issue Editor
Interests: physical chemistry; computational chemistry; organic chemistry; density functional theory (DFT); molecular mechanics; spectroscopy; chemical synthesis; biological assay
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
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Current Issues in Molecular Biology is an international peer-reviewed open access monthly journal published by MDPI.
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
