title: A Web Server and Mobile App for Computing Hemolytic Potency of Peptides.
abstract: Numerous therapeutic peptides do not enter the clinical trials just because of their high hemolytic activity. Recently, we developed a database, Hemolytik, for maintaining experimentally validated hemolytic and non-hemolytic peptides. The present study describes a web server and mobile app developed for predicting, and screening of peptides having hemolytic potency. Firstly, we generated a dataset HemoPI-1 that contains 552 hemolytic peptides extracted from Hemolytik database and 552 random non-hemolytic peptides (from Swiss-Prot). The sequence analysis of these peptides revealed that certain residues (e.g., L, K, F, W) and motifs (e.g., "FKK", "LKL", "KKLL", "KWK", "VLK", "CYCR", "CRR", "RFC", "RRR", "LKKL") are more abundant in hemolytic peptides. Therefore, we developed models for discriminating hemolytic and non-hemolytic peptides using various machine learning techniques and achieved more than 95% accuracy. We also developed models for discriminating peptides having high and low hemolytic potential on different datasets called HemoPI-2 and HemoPI-3. In order to serve the scientific community, we developed a web server, mobile app and JAVA-based standalone software (http://crdd.osdd.net/raghava/hemopi/).
authors.affiliation: Bioinformatics Centre, CSIR-Institute of Microbial Technology, Sector 39A, Chandigarh, India.
authors.forename: Kumardeep
authors.initials: K
authors.lastname: Chaudhary
authors.affiliation: CSIR-Central Scientific Instruments Organisation, Sector 30C, Chandigarh, India.
authors.forename: Ritesh
authors.initials: R
authors.lastname: Kumar
authors.affiliation: Bioinformatics Centre, CSIR-Institute of Microbial Technology, Sector 39A, Chandigarh, India.
authors.forename: Sandeep
authors.initials: S
authors.lastname: Singh
authors.affiliation: Bioinformatics Centre, CSIR-Institute of Microbial Technology, Sector 39A, Chandigarh, India.
authors.forename: Abhishek
authors.initials: A
authors.lastname: Tuknait
authors.affiliation: Bioinformatics Centre, CSIR-Institute of Microbial Technology, Sector 39A, Chandigarh, India.
authors.forename: Ankur
authors.initials: A
authors.lastname: Gautam
authors.affiliation: Bioinformatics Centre, CSIR-Institute of Microbial Technology, Sector 39A, Chandigarh, India.
authors.forename: Deepika
authors.initials: D
authors.lastname: Mathur
authors.affiliation: Bioinformatics Centre, CSIR-Institute of Microbial Technology, Sector 39A, Chandigarh, India.
authors.forename: Priya
authors.initials: P
authors.lastname: Anand
authors.affiliation: Cell Biology and Immunology Division, CSIR-Institute of Microbial Technology, Chandigarh, India.
authors.forename: Grish C
authors.initials: GC
authors.lastname: Varshney
authors.affiliation: Bioinformatics Centre, CSIR-Institute of Microbial Technology, Sector 39A, Chandigarh, India.
authors.forename: Gajendra P S
authors.initials: GP
authors.lastname: Raghava
mesh_terms: D000595:Amino Acid Sequence; D003198:Computer Simulation; D030562:Databases, Protein; D006461:Hemolysis / Q000187:drug effects*; D053878:Hemolytic Agents / Q000737:chemistry*; D006801:Humans; D020407:Internet; D063731:Mobile Applications; D010455:Peptides / Q000737:chemistry*; D020539:Sequence Analysis, Protein; D060388:Support Vector Machine
chemical_list: D053878:Hemolytic Agents; D010455:Peptides