pdCSM-PPI – Using Graph-Based Signatures to Identify Protein-Protein Interaction Inhibitors

pdCSM-PPI

:: DESCRIPTION

pdCSM-PPI is a machine learning approach that uses a graph-based representation of small molecules to guide identification of inhibitors modulating protein-protein interactions.

::DEVELOPER

Biosig Lab

:: SCREENSHOTS

N/A

:: REQUIREMENTS

Web browser

:: DOWNLOAD

:: MORE INFORMATION

Citation

Rodrigues CHM, Pires DEV, Ascher DB.
pdCSM-PPI: Using Graph-Based Signatures to Identify Protein-Protein Interaction Inhibitors.
J Chem Inf Model. 2021 Nov 22;61(11):5438-5445. doi: 10.1021/acs.jcim.1c01135. Epub 2021 Nov 1. PMID: 34719929.

EGFRIndb – Epidermal Growth Factor Receptor Inhibitor Database

EGFRIndb

:: DESCRIPTION

EGFRIndb is a literature curated database of 4581 small molecule inhibitors that have shown activity against either epidermal growth factor receptor isoforms (EGFR, ErbB2, ErbB4) or mutants of EGFR-TK domain (L858R, T790M, double mutant).

::DEVELOPER

EGFRIndb team

:: SCREENSHOTS

N/A

:: REQUIREMENTS

Web Browser

:: DOWNLOAD

:: MORE INFORMATION

Citation

EGFRIndb: epidermal growth factor receptor inhibitor database.
Yadav IS, Singh H, Khan MI, Chaudhury A, Raghava GP, Agarwal SM.
Anticancer Agents Med Chem. 2014;14(7):928-35.

ntEGFR – Predicting and Designing of EGFR Inhibitors

ntEGFR

:: DESCRIPTION

ntEGFR is a webserver to predict the inhibition property of a molecule against wild and mutant EGFR molecule.

::DEVELOPER

ntEGFR team

:: SCREENSHOTS

N/A

:: REQUIREMENTS

Web Browser

:: DOWNLOAD

:: MORE INFORMATION

Citation

QSAR-based models for designing quinazoline/imidazothiazoles/pyrazolopyrimidines based inhibitors against wild and mutant EGFR.
Chauhan JS, Dhanda SK, Singla D; Open Source Drug Discovery Consortium, Agarwal SM, Raghava GP.
PLoS One. 2014 Jul 3;9(7):e101079. doi: 10.1371/journal.pone.0101079.

XIAPin – Predicting and Designing of XAIP Inhibitors

XIAPin

:: DESCRIPTION

XIAPin is a webserver dedicated for the designing of efficient inhibitors against XIAP protein. XIAP is a central protein involved in inhibition of apoptosis. Thereby, it promotes cancer survival and development of drug resistance in cancer treatment.

::DEVELOPER

XIAPin team

:: SCREENSHOTS

N/A

:: REQUIREMENTS

Web Browser

:: DOWNLOAD

:: MORE INFORMATION

Citation

In Silico Designing and Screening of Antagonists against Cancer Drug Target XIAP.
Kumar R, Chauhan JS, Raghava GP.
Curr Cancer Drug Targets. 2015;15(9):836-46.