MUMBAI, India, July 24 -- Intellectual Property India has published a patent application (202641085367 A) filed by Sri Eshwar College Of Engineering on July 11, 2026, for Design And Identification Of Beetroot-Derived Peptide-Betalain Conjugates Targeting Peptidylarginine Deiminase 4.
Inventor includes Santhiya P.
The application for the patent was published on July 17, 2026, under issue no. 29/2026.
Abstract: The current invention pertains to the areas of computational drug discovery, peptide engineering, natural bioactive molecules, and precision medicine. In particular, the invention describes a system that allows designing, identifying, and analyzing novel peptide- betalain conjugates isolated from beetroots and having the ability to regulate the activity of Peptidylarginine Deiminase Type 4 (PAD4), an important therapeutic target involved in rheumatoid arthritis and inflammatory and autoimmune diseases. Peptidylarginine deiminase type 4 (PAD4) is a calcium-dependent enzyme responsible for the post-translational modification of proteins known as citrullination, which has been linked to rheumatoid arthritis, autoimmune diseases, inflammation, and malfunctioning of immune response mechanisms. However, some of the available inhibitors of PAD4 are characterized by low selectivity, side effects, low bioavailability, and poor efficiency. Therefore, there is a necessity to develop novel and target-specific PAD4 modulators. This task is solved using bioactive molecules obtained from Beta vulgaris (beetroot) in the current invention. Specifically, in accordance with one of the embodiments, bioactive peptide sequences are identified from beetroot protein through computational peptide discovery methods. Then, the discovered peptides are conjugated with at least one of the beetroot-derived betalain molecules, such as Betanin, Neobetanin, Betalamic Acid, Vulgaxanthin-I, and Vulgaxanthin-II. Moreover, the invention also includes a combined molecular screening and validation pipeline involving molecular docking, interaction profiling, binding energy estimation, molecular dynamic simulations, and structural analysis. The conjugates are screened against human PAD4 enzyme for assessing binding affinity, interactions, structural stability, and possible inhibition by the conjugates. Structural analyses involving hydrogen bond analysis, residue interactions, RMSD, RMSF, Rg, SASA, PCA, and FEL may be used for prioritizing lead conjugates. Thus, the invention describes an overall approach to design and rank novel peptide-betaine conjugates from beetroot with increased PAD4 inhibitory potential. The disclosed system can be helpful for developing next generation therapeutic candidates based on natural products for rheumatoid arthritis and other diseases associated with PAD4. Moreover, the invention has developed a comprehensive strategy for developing multifunctional conjugates of plant derived peptides and phytochemicals.
Disclaimer: Curated by HT Syndication.
