Molecular Docking and Biological Activity Letters



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.

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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
Bangalore University
Bengaluru, INDIA

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.
Cairo, EGYPT

Dr.Mohammad Reza Poor Heravi
Associate Professor of Organic Chemistry
Department of Chemistry, 
Payame Noor University (PNU), P.O.Box.97, IRAN
E- mail:;

Dr. J. S. Biradar
Department of Chemistry
Gulbarga University
GULBARGA –585106
Karnataka, INDIA,  

Dr. Rajendra Pundlikrao Pawar
Deogiri College, Station Road, 
Maharashtra, INDIA.

Dr. Zohre Zarnegar
Laboratory of Organic Chemistry Research, 
Department of Organic Chemistry, 
College of Chemistry, 
University of Kashan, P.O Box, 87317-51167, 
Kāshān, Isfahan, IRAN

Dr. Qilin Huang
Associate Professor
College of Food Science and Technology
Huazhong Agriculture University, Wuhan, CHINA;

Note: 1. Editor/s-in-Chief, Associate Editors, Assistant Editors, Editorial board members, Reviewers and other Members do not receive any honorarium or remuneration. These are nominated positions and are voluntarily accepted by the individual academicians.

         2. If a Researcher/Scientist/Academician working in this field is voluntarily agreeing to be an Editor or a member of the Editorial Board, kindly submit your Resume/CV to  [mention the email subject: Interested  to serve as an Editor/Editorial Board Member].

Use Microsoft Word Software and Times New Roman Letters for preparing the manuscript with double spacing (Use 14 Font size letters for the Title and 12 Font size letters for the rest of the manuscript).

The authors should ensure that, the manuscript has been 'spell checked' and 'grammar checked' before submission.

In order to verify originality of the work presented in the manuscript, your article may be checked by the originality detection service providers such as CrossCheck services.

Authors can use this check list to prepare their manuscripts before submission to the Journal for the Review process.

Title of the Article: Title should be concise and meaningful.

Complete Name/s of the Author/s:

One author should be designated as the corresponding author and his/her contact details have to be provided:
E-mail address:

Fax details:

Phone number/s:
Full postal address:


Provide the Address of all the authors, if from different institutions/countries.


Abstract/Graphical Abstract: Brief outlay of the work presented in the manuscript should reflect here.

Key words: (Maximum 6 Key words)

  1. Introduction
  2. Results and Discussion

There can be sub-divisions such as 2.1, 2.2 …. 2.1.1, 2.1.2…. under Results and Discussion.

References should be cited using the superscript format (1, 2‒4, 5,6, 7‒11)

The Figures and Schemes should include relevant captions.
The Table/s should include title/s, description, literature citation (if any) and footnote/s.

     3. Experimental (for subjects where experiments are involved, including Science and Engineering subjects)

     4. Conclusions

     5. Acknowledgement/s

     6. Financial Assistance:  Financial assistance from the funding agencies to be mentioned here; if there is no funding involved, it should be mentioned clearly as ‘this work is not funded by any funding agencies’.

     7. Conflict of Interest: Declarations/disclose of the conflict of interest has to be made by the authors.

     8. References


Reference to a Journal publication:
[1]. S. Al-B. Abdullah, S. S. Tamer, M. Z. Ehab. Ultrason. Sonochem., 2013, 20, 1194–1202.

Reference to Article by DOI:

[2]. M. K. Slifka, J. L. Whitton. Clinical implications of dysregulated cytokine production. J. Mol. Med., 2000, doi:10.1007/s001090000086.

Reference to a Book:
[3] 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:
[4] 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.

Reference to a website:
[5] J. Bean. How the Internet has Changed (and created new) Holiday Rituals. Available at: -the-internet-has-changed-and-created-newholiday-rituals/, 2010. [Accessed 12 October 2013].


Supplementary Data should be provided along with the manuscript.

Apart from this,

Names of Referees (any FIVE) and their complete contact details who are working in the same/similar field of Research should be provided in a separate file.

Authors should also provide (if any) the copies of the permission obtained for use of copyrighted material from other sources including the Internet.

The authors should assure that, the work described in the article has not been published previously, except in the form of an abstract in a conference/symposium/seminar or as part of the academic thesis and it is not under consideration for publication elsewhere, and that its publication is approved by all the authors and by the responsible authorities where the work was carried out, and that, if accepted, it will not be published elsewhere in the same form in English language or in any other language, including the electronic media.

Note: If you find difficulty in submitting your manuscript through Login, you can directly submit it to OR

Open Access Journals published by the ESRA Publications Pvt. Ltd., are accessible for free of cost on the internet. ESRA Publications guarantee that no author, university library or individual reader will ever have to buy a subscription or pay any pay-per-view fee to access the online articles. Hence, there is no revenue to ESRA Publications from the sale of subscriptions of the electronic version of the Journals or from the pay-per-view fee.

The online Open Access publication process involves, the costs including those pertaining to the maintenance of the infrastructure, routine operation of the Journals, processing of the manuscripts, editing, formatting, publishing online, indexing, archiving and maintaining the records. To cover these costs, the ESRA Publishers depend largely on the Publication Processing Fee (PPF), which is also called article processing charge. PPF is due only when a manuscript is accepted for online publication.

There is no submission fee, no Registration charges and there are no page charges.

Under certain very special conditions/circumstances where the author/s from under-developed and developing countries are not in a position to pay the Publication Processing Fee due to non-availability of the funds/grants; such work will be discounted or funded by the ESRA Publications Fund initially, on request.

The mode of payment will be informed to the authors through an E-message once the article is accepted for publication.

Publication Processing Fee

Name of the Journal

Regular PPF

(For International Authors)

Regular PPF

(For Indian Authors)

All Journals

30 $ or

25 EUR 

INR 1000