Chlamydia trachomatis, a gram-negative bacterium known to infect the genital sites mainly columnar epithelial cells of the cervix, urethra and rectum in women and causes acute epididymitis, urinary tract inflammation and DNA damage to the sperms in men, hence considered to be one of the major sexually transmitted infections. The infection is asymptomatic in many people and remains untreated leading to serious health complications, including pelvic inflammatory disease, ectopic pregnancy and infertility. The current treatment options include antibiotics, but the pathogen has gained resistance against many antibiotics. The present work involves an in silico reverse vaccinology approach for identifying the immunogens as vaccine candidates that can be effective against reinfections and should be capable of inducing long-term protective immunity against Chlamydial infections. This study identifies the putative vaccine candidates that are membrane bound with high antigenicity properties; antigenicity induces the immunogenicity which involves identification of T-cell and B-cell epitopes that induce both humoral and cell-mediated immunity. The epitopes 'LSWEMELAY', 'LSNTEGYRY', 'TSDLGQMEY', 'FIDLLQAIY' and 'FSNNFSDIY' were predicted as core sequences for class I MHC molecules. The identified epitopes showed promising ability to interact with the human leukocyte antigens (HLA). These epitopes showed maximum population coverage with epitope conservancy above 80%. Molecular docking was performed to test the binding affinities of the identified epitopes with the HLA molecule to study the binding cleft interactions. The vaccine candidate thus identified from this study showed to possess the potential to activate the Band T-cell immune responses which are more specific and make the body stronger against infections and effective for reinfections.

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Vaccines are a boon that saves millions of lives every year. They train our immune system to fight infectious pathogens. According to the World Health Organization, vaccines save 2.5 million people every year and protect them from illness by decreasing the rate of infections. Computational approach in drug discovery helps in identifying safe and novel vaccines. In silico analysis saves time, cost, and labor for developing the vaccine and drugs. Today\'s computational tools are so accurate and robust that many have entered clinical trials directly. The chapter gives insights into the various tools and databases available for computational designing of novel vaccines.

Objective: The present investigation was carried out to find the therapeutic drug targets against. Eubacterium nodatum Materials and Methods: Based on the CD-HITS 1627 proteins were selected among the total proteome count of 1690 proteins. BLASTP were used for sequence analysis which revealed around 1498 non homologues proteins in human genome. Database of Essential Gene (DEG) was used to study the high stringency analysis of the non homologues/remaining proteins which revealed around 807 essential proteins of. Eubacterium nodatum Results: Metabolic pathway analysis of human host and pathogen was performed by KEGG server. The KEGG results sorted around 132 proteins among selected 807 proteins. Further among the132 human non-homologues proteins 20 unique non homologues essential proteins were considered through Psortb, Cello and SOSUI which shows that, the identified drug targets are exposed to have high potential for designing novel drug against. The Jpred and Eubacterium nodatum Phyre2 server were used to identify 2D and 3D structures of 16 membrane associated proteins and validation was done with RAMPAGE and Procheck. Further study investigated around 200 selective drugs using the drug bank, PubChem databases which revealed Cinnamoyl echinadiol as a single potent drug according to the FDA approved drug bank database with diverse ADMET, virtual screening and drug-likeliness property. Molecular docking Conclusion: analysis shows that, Polysaccharide biosynthesis protein as a novel drug target with Cinnamoyl echinadiol drug against pathogen. Eubacterium nodatum

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