Special Issue "The Role of Molecular Docking in the Design of Targeted Therapeutic Entities and Nanomaterials"
Deadline for manuscript submissions: 25 March 2024 | Viewed by 1938
2. Science Academy, Badr University in Cairo, Badr City, Egypt
Interests: nanotechnology; molecular docking; in silico; drug design; nanomaterials; nanodrugs; drug targeting
Interests: nanotechnology; nanomaterials; drug targeting; drug delivery; cancer therapy; pharmaceutics
Molecular docking has become a useful computational technique for aiding in drug design by providing insights on interactions and dynamics of molecules and nanomaterials within biological systems. The docking of therapeutic entities and/or nanomaterials enables the prediction of preferred orientations and binding capacities of the developed therapeutics and nanostructures with the target site, thus, providing the capability to predict and achieve superior pharmacological activities. Given the wide variety of pharmacological targets and biomedical applications of nanoconstructs, this research area has received considerable interest. Accordingly, authors are invited to submit high-quality research articles regarding topics such as, but not limited to, molecular docking studies for designing novel compounds and/or nanomaterials for various biomedical applications. Review submissions highlighting the latest advances in the study of the design and biological interactions of novel active entities (i.e., active molecules and nanomaterials) with pharmacological targets are also encouraged.
Potential topics include, but are not limited to:
- Molecular docking of small molecules
- Molecular docking of nanomaterials
- Computer-aided drug design
- Targeted drug delivery
- In silico modelling in pharmaceutical applications
- Targeted nanoparticles
- Molecular docking of natural compounds
Prof. Dr. Mahmoud Elsabahy
Dr. Noura G. G. Eissa
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. Pharmaceuticals 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 2900 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.
- molecular docking
- in silico
- drug design
- drug targeting
- small molecules
- natural compounds