BIOINFO

Number: DVU 01/197
Title: Bioinformatical studies on the structure and activity of proteins and drug – receptor interactions
Basic Organization: South-West University – Blagoevgrad, Bulgaria
Funding:
National Science Fund -Ministry of Education and Science
Project Managers: Prof. Peter Milanov
Prof. Ivan Mirchev

Aims of the project

   The aim of the present project, based on the collaboration of researchers on mathematics, informatics, chemistry, bio-chemistry and biology, is to develop new and original techniques and algorithms to treat problems of bioprocesses and protein structures and drug receptor interaction. In particular, applications in the field of biotechnology, enzyme kinetics, epidemiology etc. will be developed. The aim of the project is also to create a classification system for prediction of in vitro drugs biological activity based on the cluster of computers.

Stages

First stage

  • Development of D-R-R models
  • Development of optimal fitting methods
  • Design of different ANN for QSAR
  • Development of algorithms for the training of ANN
  • Development of algorithms for peptide folding
  • Establishment of a cluster computer system
  • Meetings and workshops – project problems discussion
  • Meetings of administrative and scientific councils

Second stage

  • Writing of computational programs for data fitting
  • Writing of computational programs for peptide folding
  • Writing of programs for training of ANN
  • Writing of programs for QSAR
  • Writing of programs for simulation of D-R-R and S-R-R
  • Verification of the models using experimental data
  • Meetings of administrative and scientific councils

Participants

Name Organization
Prof. Ivan Mirchev SWU-Blagoevgrad
Prof. Peter Milanov SWU-Blagoevgrad
Acad. Peter Kenderov IMI-BAS
Acad. Evgeny Golovinski
IMB-BAS
Prof. Tsenka Milkova SWU-Blagoevgrad
Assoc. Prof. Tamara Paypanova IMB-BAS
Assoc. Prof. Borislav Yurukov SWU-Blagoevgrad
Prof. Nevena Pencheva SWU-Blagoevgrad
Prof. Nicola Yanev Sofia University
Prof. Rumen Andonov University of Rennes
Prof. Ulrich Faigle University of Cologne
Assoc. Prof. Emil Burnazki IWP – BAS
Assoc. Prof. Ivan Trenchev SWU-Blagoevgrad
Assist. Anton Stoilov SWU-Blagoevgrad
Assist. Maya Spasova SWU-Blagoevgrad
Assist. Ivan Todorin SWU-Blagoevgrad
Radka Kundeva SWU-Blagoevgrad

Working groups

Design, synthesis and biological activity of substances constituting a particular interest

  • Prof. Nevena Pencheva, head
  • Acad. Evgeny Golovinski
  • Prof. Tsenka Milkova
  • Assoc. Prof. Tamara Paypanova
  • Assist. Maya Spasova

Bioinformaticali studies on the structure and activity of proteins

  • Prof. Nicola Yanev, head
  • Acad. Peter Kenderov
  • Prof. Rumen Andonov
  • Assoc. Prof.. Ivan Trenchev

Modeling of drug-receptor interactions

  • Prof. Peter Milanov, head
  • Prof. Ivan Mirchev
  • Acad. Peter Kenderov
  • Assoc. Prof. Borislav Yurukov
  • Prof. Nevena Pencheva
  • Assoc. Prof. Tamara Paypanova
  • Assist. Ivan Todorin

Develop and implement bioinformatics software for the project

  • Prof. Emil Burnazki, head
  • Assoc. Prof. Ivan Trenchev, head
  • Assist. Stoyan Vezenkov
  • Assist. Ivan Todorin
  • Assist. Anton Stoilov
  • Blagovest Kasabov
  • Kyril Gashteovski
  • Ilija Tinyokov
  • Metodi Traykov

Results

Presentations at seminars and conferences

Articles

  • Docking studies of selective enkephalin analogues to delta-opioid receptor, DZIMBOVA T., PENCHEVA N., PAJPANOVA T., MILANOV P.
  • Synthesis and computer modeling of new chiral pna analogues, DZIMBOVA T., PAJPANOVA T., MILANOV P.
  • How Kyotorphins Act – Computer Modeling of New Kyotorphin Analogues, DZIMBOVA T., PAJPANOVA T., MILANOV P.
  • Computer modeling of ligand-receptor interactions – enkephalin analogues and delta-opioid receptor, DZIMBOVA T., PENCHEVA N., PAJPANOVA T., MILANOV P.
  • Comparative Study of Computer Modeling and Biological Testing of New Kyotorphin Analogues Peptides: Building Bridges, DZIMBOVA T.,MILANOV P.,PAJPANOVA T.
  • Integer programming approaches to HP folding, YANEV N. , MILANOV P. , TRENCHEV Iv. , MIRCHEV Iv.
  • Docking studies of selective enkephalin analogues to delta-opioid receptor, DZIMBOVA T.,  PENCHEVA N., PAJPANOVA T., MILANOV P.
  • Synthesis and computer modeling of new chiral PNA analogues, DZIMBOVA T., PAJPANOVA T.,  MILANOV P.
  • A new integer programming model for HP problem, YANEV N., MILANOV P., TRENCHEV Iv.
  • Bioinfromatics and intellectual Property, TRENCHEVA T., TRENCHEV Iv., MILANOV P., MIRCHEV Iv.
  • Bioinformatics research of 3D structure of the proteins, STOEV R., GASHTEOVSKI K., TODORIN Iv.,  TRENCHEV Iv., BORISOVA N., TRAYKOV M.
  • Neural networks – basic principles for construction, their application in drug design and genetic algorithms, GASHTEOVSKI K., TRENCHEV Iv., BORISOVA N., TODORIN Iv., ILIEV Gr.