SARS-CoV-2 3CLpro inhibitors(SARS-CoV-2-3C-like-proteinase inhibitors), SARS-CoV-2 E protein inhibitors(SARS-CoV-2 E protein inhibitors), SARS-CoV-2 N protein inhibitors(SARS-CoV-2 N protein inhibitors)

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Therapeutic Areas

Infectious Diseases

Active Indication

Coronavirus Infections

Inactive Indication-

Originator Organization

Pontifícia Universidade Católica do Rio de Janeiro

Active Organization

Pontifícia Universidade Católica do Rio de Janeiro

Inactive Organization-

License Organization-

Drug Highest PhasePreclinical

First Approval Date-

Regulation-

100 Clinical Results associated with Multiepitope vaccines(Pontifical Catholic University of Rio de Janeiro)

100 Translational Medicine associated with Multiepitope vaccines(Pontifical Catholic University of Rio de Janeiro)

100 Patents (Medical) associated with Multiepitope vaccines(Pontifical Catholic University of Rio de Janeiro)

Literatures (Medical) associated with Multiepitope vaccines(Pontifical Catholic University of Rio de Janeiro)

01 Mar 2025·Journal of Molecular Modeling

Molecular dynamics simulation shows enhanced stability in scaffold-based macromolecule, designed by protein engineering: a novel methodology adapted for converting Mtb Ag85A to a multi-epitope vaccine

Article

Author: Roychowdhury, Amlan ; Ganguly, Manisha ; Rahman, Shakilur ; Hazra, Ditipriya ; Das, Amit Kumar

CONTEXTMulti-epitope vaccine (MEV) construction is a technique which combines multiple epitopes, both B cell epitopes and T cell epitopes which have the potential to elicit a much stronger immune response compared to a subunit vaccine. Therefore, recently, a lot of research has been focused on development and improvement of multiepitope vaccines. The strategy of designing a MEV in silico lies in a few basic steps, including procuring the amino acid sequence of the B cell and T cell epitopes from literature search, bioinformatics approach, to construct a potent immunogen capable of eliciting both humoral and cell-mediated response and finally joining these epitopes by linkers. However, a vaccine constructed by merely joining the epitopes may not always result in a stable globular structured protein. In this study, we have focused on developing a strategy where a potential vaccine candidate of Mycobacterium tuberculosis has been used as a scaffold and the low complexity regions of this scaffold have been replaced by the predicated epitopes. Essentially, instead of joining the epitopes by linkers, they have been carefully positioned on a scaffold of a protein that is itself a vaccine candidate to derive a MEV against Mycobacterium tuberculosis.METHODIn this study, a methodology has been detailed to tackle this great challenge using a simple approach of protein engineering. A scaffold-based MEV has been designed against Mtb by converting a vaccine candidate protein, Ag85A, into a scaffold by truncating its low complexity non-immunogenic regions, and the gaps were supplemented by the highly immunogenic epitopes. Replicated 500 ns molecular dynamics simulation at different temperatures (300 K and 310 K) and principal component analysis proved that MEV built on the scaffold is more stable than the conventional one.

11 Dec 2024·Journal of Biomolecular Structure and Dynamics

In silico and immunoinformatics based multiepitope subunit vaccine design for protection against visceral leishmaniasis

Article

Author: Bhowmik, Deep ; Kothandan, Gugan ; Bhuyan, Achyut ; Kumar, Diwakar ; Gunalan, Seshan

Visceral leishmaniasis (VL) is a vector-borne neglected tropical protozoan disease with high fatality and no certified vaccine. Conventional vaccine preparation is challenging and tedious. Here in this work, we created a global multiepitope subunit vaccination against VL utilizing innovative immunoinformatics technique based on the extensively conserved epitopic regions of the PrimPol protein of Leishmania donovani consisting of four subunits which were analyzed and studied, out of which DNA primase large subunit and DNA polymerase α subunit B were evaluated as antigens by Vaxijen 2.0. The multiepitope vaccine design includes a single adjuvant β-defensins, eight CTL epitopes, eight HTL epitopes, seven linear BCL epitopes and one discontinuous BCL epitope to induce innate, cellular and humoral immune responses against VL. The Expasy ProtParam tool characterized the physiochemical parameters of the vaccine. At the same time, SOLpro evaluated our vaccine constructs to be soluble upon expression. We also modeled the stable tertiary structure of our vaccine construct through Robetta modeling for molecular docking studies with toll-like receptor proteins through HADDOCK 2.4. Simulations based on molecular dynamics revealed an intact vaccine and TLR8 complex, supporting our vaccine design's immunogenicity. Also, the immune simulation of our vaccine by the C-ImmSim server demonstrated the potency of the multiepitope vaccine construct to induce proper immune response for host defense. Codon optimization and in silico cloning of our vaccine further assured high expression. The outcomes of our study on multiepitope vaccine design significantly produced a potential candidate against VL and can potentially eradicate the disease in the future after clinical investigations.Communicated by Ramaswamy H. Sarma.

09 Dec 2024·Journal of Biomolecular Structure and Dynamics

Reverse vaccinology & immunoinformatics approach to design a multiepitope vaccine (CV3Ag-antiMRSA) against methicillin resistant Staphylococcus aureus (MRSA) – a pathogen affecting both human and animal health

Article

Author: Bandopadhyay, Satarupa ; Pais, Roshan ; Das Mitra, Susweta ; Karunakar, Prashantha ; Rajegowda, Sushmitha ; Kumar, Bharat

Infections caused by drug resistant bacteria is a silent detrimental pandemic affecting the global health care profoundly. Methicillin resistant Staphylococcus aureus (MRSA) is a pathogen that causes serious infections in different settings (community, hospital & veterinary) whose treatment remains highly challenging due to its powerful characteristics (antibiotic resistance strategies, virulence factors). In this study, we used reverse vaccinology (RV) approach and designed an immunogenic multi epitope vaccine (CV3Ag-antiMRSA) targeting three potential antigen candidates viz., mecA encoding transpeptidase (PBP2a) protein responsible for conferring methicillin resistance and two virulence determinants - hlgA encoding gamma-hemolysin component A (a pore forming toxin) and isdB encoding iron regulated surface determinant B (heme transport component that allows S. aureus to scavenge iron from host hemoglobin and myoglobin). We employed an array of immunoinformatic tools/server to identify and use immunogenic epitopes (B cell and MHC class) to develop the chimeric subunit vaccine V4 (CV3Ag-antiMRSA) with immune modulating adjuvant and linkers. Based on different parameters, the vaccine construct V4 (CV3Ag-antiMRSA) was determined to be suitable vaccine (antigenic and non-allergen). Molecular docking and simulation of CV3Ag-antiMRSA with Toll Like Receptor (TLR2) predicted its immuno-stimulating potential. Finally, in silico cloning of CV3Ag-antiMRSA construct into pet28a and pet30 vector displayed its feasibility for the heterologous expression in the E. coli expression system. This vaccine candidate (CV3Ag-antiMRSA) designed based on the MRSA genomes obtained from both animal and human hosts can be experimentally validated and thereby contribute to vaccine development to impart protection to both animal and human health.Communicated by Ramaswamy H. Sarma.

100 Deals associated with Multiepitope vaccines(Pontifical Catholic University of Rio de Janeiro)

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Indication	Highest Phase	Country/Location	Organization	Date
Coronavirus Infections	Preclinical	Brazil	Pontifícia Universidade Católica do Rio de Janeiro	23 May 2023

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Multiepitope vaccines(Pontifical Catholic University of Rio de Janeiro)

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