Molecular docking is a method which predicts the preferred orientation of one molecule (a Guest) to a second one (a Host) when bound to each other to form a complex. A study on the preferred orientation is useful to predict the binding affinity between the host and the guest molecules. The relative orientation of these two interacting partners may affect the type of signal produced which plays an important role in the elucidation of the fundamental biochemical processes. Docking is one of the most frequently used methods in the structure-based drug design due to its ability to predict the binding-conformation of chemical compounds to the appropriate target binding sites such as proteins, nucleic acids, carbohydrates and lipids.
Biological activity refers to the beneficial or adverse effect of a drug on a living organism. Amongst the various properties of chemical compounds, pharmacological/biological activity plays an important role as it gives information about the use of the chemical compounds in the pharmacological applications. Bioactivity is generally dosage-dependent, to be an effective drug, a compound must be active against a target, and also possess the appropriate Absorption, Distribution, Metabolism and Excretion properties necessary to make it a suitable drug.
Molecular Docking and Biological Activity Letters (MDBAL) is an International peer-reviewed, Open Access Journal which publishes original research articles in all areas of molecular Docking and Biological Activity.
All the manuscripts have to be prepared in English language and are subjected to a rigorous and international peer-review process. All the accepted manuscripts will appear online within 2 to 3 weeks from the date of completion of the peer-review process. The Journal publishes original work pertaining to the molecular docking and biological activity and the related subfields.
Chemical Synthesis based on Molecular Docking studies
Molecular Docking of known and novel organic molecules
Molecular Docking of known and novel organometallic compounds
Molecular Docking and drug design
Biological activity of organic molecules
Biological activity of organometallic compounds
Biological activity of nanomaterials
Studies on Toxicology
Studies on Carcinogenicity
Studies on all the other biological activities
Molecular Docking and Bioactivity relationship
Any other work related to Molecular Docking and Bioactivity
Short papers (2 to 8 pages) prepared in the Prescribed Format/Template where author/s can address a specific problem that sketch the results or problems on a specific topic or a preliminary data or a novel idea on molecular docking studies and biological avtivity will be published in this Journal.
Professor M. A. PASHA
Department of Chemistry
Dr. Meshram Gangadhar Asaram
Professor of Organic Chemistry
and Former Member of Senate (2010-15)
Dept. of Chemistry
University of Mumbai, Mumbai, INDIA
Dr. Ahmed Kamel Mohamed Ibrahem EL-Ziaty
Asst. Professor of Organic Chemistry,
Chemistry Department, Faculty of Science,
Ain Shams University.
E-mail: email@example.com; firstname.lastname@example.org
Dr.Mohammad Reza Poor Heravi
Associate Professor of Organic Chemistry
Department of Chemistry,
Payame Noor University (PNU), P.O.Box.97, IRAN
E- mail: email@example.com;
Dr. J. S. Biradar
Department of Chemistry
Dr. Rajendra Pundlikrao Pawar
Deogiri College, Station Road,
Dr. Zohre Zarnegar
Laboratory of Organic Chemistry Research,
Department of Organic Chemistry,
College of Chemistry,
University of Kashan, P.O Box, 87317-51167,
KÄshÄn, Isfahan, IRAN
Dr. Qilin Huang
College of Food Science and Technology
Huazhong Agriculture University, Wuhan, CHINA
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Title of the Article: Title should be concise and meaningful.
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Reference to a Journal publication:
. S. Al-B. Abdullah, S. S. Tamer, M. Z. Ehab. Ultrason. Sonochem., 2013, 20, 1194–1202.
Reference to Article by DOI:
. M. K. Slifka, J. L. Whitton. Clinical implications of dysregulated cytokine production. J. Mol. Med., 2000, doi:10.1007/s001090000086.
Reference to a Book:
 J. L. Luche, T. J. Mason. Sonochemistry, experiment to theoretical considerations: Advances in Sonochemistry, ed., JAI Press, London, 1993.
Reference to a chapter in an Edited Book:
 B. Brown, M. Aaron. The politics of nature. In: J. Smith (ed) The rise of modern genomics, 3rd Edn. Wiley, New York, 2001, pp 230−257.
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