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  1. 1. dr shabeel pn antibiotics
  2. 2. Historical perspective <ul><li>Extracts of plants and herbs used for centuries to treat illnesses – before we understood that infectious illnesses are caused by microorganisms. </li></ul><ul><li>Some of these traditional treatments now known to contain therapeutic drugs – eg quinine in bark from chinchona tree active against the malaria parasites. </li></ul><ul><li>1908 – Paul Ehrlich – salvarsan – arsenic compound –effective treatment of syphilis First systematic approach to find compounds to treat infections </li></ul><ul><li>Concept of chemotherapy born - finding a specific chemical compound or drug that kills a microorganism without damaging the host (human) tissues . </li></ul>
  3. 3. <ul><li>Sulpha drugs – Domagk – 1930s –sulphanilamide – not used very much now. </li></ul><ul><li>Discovery of antibiotics – 1928 – Alexander Fleming– growth of Staphylococcus aureus on an agar plate inhibited by growth of a common blue-green mould (fungus) – Penicilliumnotatum </li></ul><ul><li>Florey (Australian) responsible for development of penicillin </li></ul>
  4. 4. ANTIBIOTICS <ul><li>A comprehensive Antibiotic database with an emphasis on Bioinformatics has been developed and updated on March,2008 for free online access </li></ul><ul><li>Many pharmaceutical companies are developing semi synthetic form from natural antibiotic and purely synthetic chemicals with antibiotic activity. </li></ul>
  5. 5. NEED FOR SEMI-SYNTHETICS ANTIBIOTICS <ul><li>The reactive beta lactam ring is common to all penicillins and cephalosporin C analogues. </li></ul><ul><li>This ring opens during acytelation of the bacterial wall-building enzymes, but previous opening of the ring by acid or beta lactamase destroys antibiotic activity. </li></ul><ul><li>Semi synthetic substitutions may protect the ring by steric hindrance; </li></ul>
  6. 6. YellapragadaSubbarao <ul><li>Yellapragada Subbarao ( January 12 , 1895 -August 9, 1948 ) remains in the views of many the most notable medical scientist to emerge from India. </li></ul><ul><li>He passed the Intermediate Examination from the Presidency College and entered the Madras Medical College </li></ul><ul><li>He discovered the role of Phosphocreatine and Adenosine Triphosphate (ATP) in muscular activity. </li></ul><ul><li>Under him Benjamin Duggar made his discovery of Aureomycin in 1945, the world's first tetracycline antibiotic </li></ul>
  7. 7. PENICILLIN <ul><li>Penicillin </li></ul><ul><li>Penicillin G acid labile, narrow spectrum(mostly active against gram- positive organisms; susceptible to the action of β -lactam (enzyme which splits the β -lactam ring) </li></ul><ul><li>Penicillin-V acid stable (a small change in structure gives on </li></ul><ul><li>important change in properties) can be used orally organism that </li></ul><ul><li>produce β -lactamases are resistant to Penicillin and Penicillin G </li></ul><ul><li>Semi-synthetic Penicillin </li></ul><ul><li>Ampicillin,Oxacillin,Oxacillin,Cloxacillin,Flucloxacillin,Methicillin,Amoxycillin,Carbenicillin broad spectrum of activity – active against Gram-negative organisms as well as Gram-positive organisms. </li></ul>
  8. 8. GENOMIC INFORMATION OF PENICILLIN ANTIBIOTIC GENES DATA BASE-LINKS PENICILLIN pcbAB, pcbC and penDE Semi synthetic Penicillin Resistant Gene Gene-Links AMPICILLIN (ampr) frame.html CLOXACILLIN bl2d_lcr1,bl2d_moxa bl2d_oxa1,bl2d_oxa10 bl2d_oxa2,bl2d_oxa5 bl2d_oxa9,bl2d_r39 cloxacillinframe.html METHICILLIN mecr1 methicillinframe.html CARBENICILLIN bl2c_bro,bl2c_pse1 bl2c_pse3 carbenicillinframe.html
  9. 9. CEPHALOSPORIN <ul><li>CEPHALOSPORIN-MICROBIAL ORIGIN </li></ul><ul><li>Bactericidal antibiotic. Isolated from culture Cephalosporiumacremonium. β-lactam structure is very similar to penicillin. </li></ul><ul><li>Treat infections in different parts of the body-the ears, nose, throat, lungs, sinuses, and skin . </li></ul><ul><li>SEMI-SYNTHETIC CEPHALOSPORIN </li></ul><ul><li>Cephalothin,Cephaloridine,Cephaloglycin,Cephalexin,Cephapirin,Cephalexin,Cepharoxadine,Cefaclor,Cefixime active against Gram-negative organisms as well as Gram-positive organisms. </li></ul>
  10. 10. GENOMIC INFORMATION ON CEPHALOSPORIN ANTIBIOTICS GENES DATA BASE-LINKS CEPHALOSPORIN cefEF-cefG Semi-Synthetic Cephalosporin Resistant Gene Database-Links Cephapirin bl2b_tem1, bl2b_tem2, cephapirinframe.html Cefaclor bl2b_tem1, bl2be_ctxm cefaclorframe.html cefixime bl2be_ctxm cefiximeframe.html
  11. 11. TETERACYCLIN <ul><li>TETERACYCLIN-MICROBIAL ORIGIN </li></ul><ul><li>Is a broad-spectrum polyketide antibiotic used against many bacterial infections. Commonly used to treat acne. </li></ul><ul><li>It was released by the organism Streptomycesaureofaciens Used to produce several semi-synthetic derivatives. </li></ul><ul><li>Known as the tetracycline antibiotic group. </li></ul><ul><li>The general chemical formula is C 22 H 24 N 2 O 8 . The molecular weight is 444.44 g. </li></ul><ul><li>SEMI-SYNTHETIC TETERACYCLIN </li></ul><ul><li>Methacycline, Doxycycline,Rolitetracyclin </li></ul><ul><li>The semi-synthetic, second-generation antibiotic doxycycline became available in 1967. </li></ul><ul><li>A number of other naturally occurring and semi-synthetic types of tetracycline are also available. </li></ul><ul><li>Each varies somewhat in the organisms it is effective against and in how long a dose remains effective. </li></ul>
  12. 12. GENOMIC INFORMATION ON TETRACYCLIN ANTIBIOTICS Resistant Gene DATA BASE-LINKS Tetracyclin mexa, mexb, oprm, Otra, otrb tetraresi.html
  13. 13. BIOLOGICAL DATABASE-WHY <ul><li>A biological database is a large, organized body of persistent data, usually associated with computerized software </li></ul><ul><li>Designed to update, query, and retrieve components of the data stored within the system. </li></ul><ul><li>A simple database might be a single file containing many records, each of which includes the same set of information. </li></ul><ul><li>A record associated with a nucleotide sequence database typically contains information such as contact name </li></ul><ul><li>The input sequence with a description of the type of molecule </li></ul><ul><li>The scientific name of the source organism from which it was isolated </li></ul>
  14. 14. APPLICATION OF BIOINFORMATICS IN ANTIBIOTIC RESISTANCE <ul><li>Scientists examined the genome of Enterococcusfaecalis -a leading cause of bacterial infection among hospital patients. </li></ul><ul><li>They have discovered a virulence region made up of a number of antibiotic-resistant genes that contribute to the bacterium's transformation from a harmless gut bacteria to a menacing invader. </li></ul><ul><li>The discovery of the region, known as a pathogenicity , which provide useful markers for detecting pathogenic strains and help to establish controls to prevent the spread of infection inwards. </li></ul>
  15. 15. SUCCESS OF HUMAN GENOME PROJECT <ul><li>The Human Genome Project provide researchers with powerful tools to understand the genetic factors in human diseases. </li></ul><ul><li>Paving the way for new strategies for their diagnosis, treatment and prevention. </li></ul><ul><li>The Human Genome project spurred a revolution in biotechnology innovation around the world. </li></ul><ul><li>It has already fueled the discovery of genes for more than 1,800 diseases </li></ul><ul><li>Pharmacogenomics holds the promise that drugs might one day be tailor-made for individuals and suited to each person’s genome </li></ul>
  16. 16. <ul><li>Environment, diet, age, lifestyle, and state of health can influence a person's response to, but understanding an individual is thought to be the key to create personalized medicine with highest efficacy and safety. </li></ul><ul><li>Serious bacterial infections can lead to death in the absence of antibiotic therapy </li></ul><ul><li>Fungal infection is quite common among poor sections of society due to their occupational conduct in soil: the geriatric population; immunosuppressed patients namely, in organ recipients and in AIDS. </li></ul><ul><li>Hence the antibiotics remain a necessary weapon in the clinician’s arsenal for ensuring diseases </li></ul>
  17. 17. REVIEW OF LITERATURE <ul><li>Antibiotic Resistance Genes Database </li></ul><ul><li>Received August 14, 2008. Revised September 15, </li></ul><ul><li>2008. Accepted September 16, 2008. </li></ul><ul><li>ARDB can help user to identify mutational resistance for 12 </li></ul><ul><li>antibiotic target genes by BLAST </li></ul><ul><li>ARDB contains resistance information for 13293 genes, 377 types, 257 antibiotics, 3369 species and 124 genera. </li></ul><ul><li>Sorted by: </li></ul><ul><ul><ul><ul><ul><li>Resistance Type </li></ul></ul></ul></ul></ul><ul><ul><ul><ul><ul><li>Resistance Gene </li></ul></ul></ul></ul></ul><ul><ul><ul><ul><ul><li>Antibiotic </li></ul></ul></ul></ul></ul><ul><ul><ul><ul><ul><li>Resistance Gene(Non RD) </li></ul></ul></ul></ul></ul><ul><ul><ul><ul><ul><li>Resistance Gene(ALL) </li></ul></ul></ul></ul></ul><ul><ul><ul><ul><ul><li>Resistance Species </li></ul></ul></ul></ul></ul><ul><ul><ul><ul><ul><li>Resistance Genus </li></ul></ul></ul></ul></ul>
  18. 18. REVIEW OF LITERATURE <ul><li>NOVEL ANTIBIOTIC DATABASE </li></ul><ul><li>This Data Base includes 5,430 novel substances published in the Journal of Antibiotics Vol.1-56, in 1947-2003. </li></ul><ul><li>The size of this data base is so large (ca.1,900KB) that it is divided into 5 parts. </li></ul><ul><li>Sorted by: </li></ul><ul><ul><ul><ul><ul><li>Substance Name </li></ul></ul></ul></ul></ul><ul><ul><ul><ul><ul><li>Organism Name </li></ul></ul></ul></ul></ul><ul><ul><ul><ul><ul><li>Activity Index </li></ul></ul></ul></ul></ul><ul><ul><ul><ul><ul><li>Affiliation </li></ul></ul></ul></ul></ul>
  19. 19. MULTIFUNCTIONAL ANTIMICROBIAL PEPTIDE DATABASE <ul><li>It contains detailedinformation for 525 peptides (498 antibacterial, 155 antifungal,28 antiviral and 18 antitumor) </li></ul><ul><li>It also provides statisticaldata for a select group of or all the peptides in the database . </li></ul><ul><li>Peptide information can be searched using keywords such as peptidename, ID, length, net charge, hydrophobic percentage, key residue,unique sequence motif, structure and activity. </li></ul><ul><li>APD ( Antimicrobial Peptide Database ) is a usefultool for studying the structure–function relationshipof antimicrobial peptides. </li></ul>
  20. 20. ANTIBIOTIC DATABASE LAUNCHED <ul><li>Doctors may access the latest information on antibiotics and their proper use from a free, peer reviewed database provided on the internet by Johns Hopkins Medical Institutions </li></ul><ul><li>It offers diagnostic criteria and drug options and is continually updated to reflect the best available information. Emergency alerts, such as drug recalls, will be available immediately </li></ul><ul><li>Information on more than 160 drugs and more than 140 diseases treated by both specialists and primary care physicians is featured. </li></ul>
  21. 21. ANTIBIOTIC RESISTANCE GENES ONLINE (ARGO) <ul><li>A Database on vancomycin and β­lactam resistance genes </li></ul><ul><li>A database containing gene sequences conferring resistance to these two classes of antibiotics. </li></ul><ul><li>It is designed as a resource to enhance research on the prevalence and spread of antibiotic resistance genes. </li></ul><ul><li>ARGO is the first attempt to compile the resistance gene sequence data with state specific information. </li></ul>
  22. 22. <ul><li>None of the already available database have information on bioinformatics of antibiotics. </li></ul><ul><li>Namely the genomic component of antibiotic or the genomic component of target molecules also. </li></ul><ul><li>Hence there is a need for some database of a comprehensive, lucid data on antibiotic with specific information of on genome level. </li></ul>
  23. 23. Antibiotic Resistance Genes Online (ARGO): <ul><li>Received  February 14, 2005; revised March 14, 2005; accepted  March 15, 2005; published online March 17, 2005 </li></ul><ul><li>Availability : </li></ul><ul><li>A database containing gene sequences conferring resistance to these two classes of antibiotics. </li></ul><ul><li>It is designed as a resource to enhance research on the prevalence and spread of antibiotic resistance genes. </li></ul><ul><li>ARGO is the first attempt to compile the resistance gene sequence data with state specific information . </li></ul>
  24. 24. LANGUAGES USED <ul><li>HTML(Hyper Text Markup Language) </li></ul><ul><ul><ul><li>Written by Tim Berners-Lee </li></ul></ul></ul><ul><ul><ul><li>I s the predominant markup language for Web pages </li></ul></ul></ul><ul><ul><ul><li>It provides a means to describe the structure of text-based information in a document by denoting certain text as links, </li></ul></ul></ul><ul><ul><ul><li>headings, paragraphs, lists. </li></ul></ul></ul><ul><ul><ul><li>HTML is written in the form of tags, surrounded by angle </li></ul></ul></ul><ul><ul><ul><li>brackets. </li></ul></ul></ul>
  25. 25. CSS(CASCADING STYLE SHEET ) Written by HåkonWium Lie and Bert Bos Released by Microsoft's Internet Explorer 3 ,1999 A new emerging technology. Is a simple mechanism for adding style (e.g. fonts, colors, spacing) to Web documents
  26. 26. DATABASE CONSTRUCTION <ul><li>This antibiotic database was built on the windows </li></ul><ul><li>Vista operating system </li></ul><ul><li>In addition to reference books, for specific informations. </li></ul><ul><li>Antibiotics of microbial origin were collected from the pub - med search using keywords such as, </li></ul><ul><ul><ul><ul><li>Discoverer, </li></ul></ul></ul></ul><ul><ul><ul><ul><li>Antibiotic producing organisms, </li></ul></ul></ul></ul><ul><ul><ul><ul><li>Chemical structure., Dosage, </li></ul></ul></ul></ul><ul><ul><ul><ul><li>Susceptible organism, </li></ul></ul></ul></ul><ul><ul><ul><ul><li>Genomic information , </li></ul></ul></ul></ul><ul><ul><ul><ul><li>Gene responsible , </li></ul></ul></ul></ul><ul><ul><ul><ul><li>Patent and Industrial production. </li></ul></ul></ul></ul>
  27. 27. DATABASE DESCRIPTION Themain page of the database contains information about <ul><li>Introduction, </li></ul><ul><li>Effectiveness, </li></ul><ul><li>Table information and links </li></ul><ul><li>providing detailed information of all the antibiotics of microbial origin. </li></ul>
  28. 28. APPLICATION <ul><li>An user- friendly database on antibiotics of semisynthetic has been developed and made available on online in the website </li></ul><ul><li>semi-synthetic semihome.html </li></ul><ul><li>This database is the first of its kind on antibiotics of semisynthetic origin on website, a comprehensive one with the main thrust on bioinformatics </li></ul><ul><li>This database has been made available for free access by all interested individuals on antibiotics </li></ul>
  29. 29. AVAILABILITY <ul><li>This Database on microbial origin has been created, and will be uploaded into the website on 9 th September 2009. </li></ul><ul><li>This is maintained and upgraded by the BIFC center, Presidency College </li></ul><ul><li>The database will be periodically updated </li></ul>
  30. 30. WHO BE WILL BENIFITED <ul><li>Scientists </li></ul><ul><li>Research Scholars </li></ul><ul><li>Students </li></ul>
  31. 31. Thank you. We invite you to our website