The ConjuPepDB contains information about drug-peptide conjugates collected from literature. It is designed to be intuitive and user-friendly, with tooltips and help icon. To get help for the specific part click the
which appears next to it. Clicking it will open a popup window with the help messages.
ConjuPepDB has options to browse all the conjugates, or browse by articles. It also allows the user to perform a simple keyword search, and free text search.
Nizami bilal, 2020.
Click here to view the paper: ConjuPepDB paper
To perform free text search enter your query in the search box and click search. Following fields are searched.
ConjuPepDB ID, peptide sequence (one letter), CAS RN, inchi key, application, peptide name, small molecule name, and conjugate types.
Use the following characters to construct logical search query.
+ stands for AND
- stands for NOT
[no operator] implies OR
The asterisk serves as the truncation (or wildcard) operator. It should be appended to the word to be affected. Words match if they begin with the word preceding the * operator.
Example:
1. Search query 'sulfide+anticancer' will fetch the entries of type sulfide and anticancer applicaton.
2. Search query 'anticancer-amide' will fetch all the conjugates with anticancer application while excluding type amide.
Select a keyword such as ConjuPepDB ID, CAS RN, Application, to search, then type the term you want to search for the selcted option, and press the submit button. To search in the articles, select a search field such as Title, Authors, Year, or Journal name, then type the term you want to search in the given input, and press the submit button.
Structural search allows to search drug like molecule part of the conjugates by defining a chemical structure query. JSME Molecule Editor by Peter Ertl and Bruno Bienfait is used to supports drawing and editing of molecules. Users can draw a query molecule or can insert a valid SMILES string in the JSME canvas by right clicking (or click on 
) and then selecting 'Paste SDF or MOL or SMILES' . Threre are three types of chemical search options available,
RDKit Postgresql cartridge [1] is used to calculate fingerprints and index the similarity & substructure search index. Similarity between the query and target molecule is evaluated using Tanimoto index.
References
This page allow users to browse all the conjugates in a tabulated form. The table is spread over multiple pages, and a specific page can be accessed by clicking in the pagination menu.
The conjugates's table shows the IDs, CAS RN, peptide name, small molecule CAS, type and, reference. The table can be filtered based on the year of publication. Clicking on a specific ID opens the detailed view of a single entry, where further details about it can be found (See ConjuPepDB Conjugate Entry Section and Figure 8).
This page allow users to browse all the articles in the database in a tabulated form. The title of the article, author's name, year of publication, DOI number (open in a new tab), Journal name and, number of records in the articles are shown. The table can be sorted by clicking on the column's heading with ▲/▼ symbol.
This page allow users to access the detailed information on a single drug-peptide conjugate entry. The information in this page is devided into various sections. A molecular structure along with a 3D model of the conjugate is shown at the begining of each page. 3D model is rendered using Jsmol and various control buttons are provided to toggle the different molecular representations (Such as CPK, Ball&Stikc, and Stick etc.). To rotate the model click and hold the left button on the canvas area and move the mouse.
Next sections shows the information related to identifications, external IDs, physico-chemical properties, and bibliography of a single entry.
This page shows the details of a single article.
Title: e.g. 'HIV-TAT enhances the transdermal delivery of NSAID drugs from liquid crystalline mesophases'
Authors and journa information: Authors: Cohen-Avrahami, Marganit; Shames, Alexander I; Ottaviani, M Francesca; Aserin, Abraham; Garti, Nissim; The journal of physical chemistry.; (2014); 10.1021/jp412739p
DOI : Link to the extenral full text article.
Abstract:
Year of publication: e.g. 2012
ConjuPepDB article ID: e.g. cpdart0001
PUBMED ID: e.g. 22285548
Conjugates from this article can be browsed by clicking on