Background: Inflammation plays a key role in the progression of many chronic diseases. As a country with rich biodiversity, Indonesia offers numerous phytochemicals with potential for drug development, including catechin, a natural compound with anti-inflammatory properties. Objective: This study aimed to identify potential anti-inflammatory targets of catechin and evaluate its inhibitory potency through molecular docking simulations. Methods: Data acquisition and refinement were conducted using the NCBI, STRING, and STITCH databases, with intersections identified through Venn diagrams. Molecular docking was performed using AutoDockTools 1.5.6, and interactions were visualized with BIOVIA Discovery Studio. Results: Bioinformatics analysis predicted that catechin inhibits three pro-inflammatory proteins: COX-2, HSP90, and IL-2. Catechin’s inhibitory potential was indicated by negative binding energies and interactions with amino acid residues critical for target protein activity. Among the targets, IL-2 exhibited the lowest binding energy with catechin (-5.12 kcal/mol), suggesting it as the primary anti-inflammatory target. However, catechin’s binding affinity was lower than that of the native ligand (-11.78 kcal/mol). Conclusion: IL-2 is predicted to be the primary target for catechin’s anti-inflammatory activity. Structural modifications of catechin are recommended to enhance its binding affinity and therapeutic potential.

Cancer, especially breast cancer is the leading cause of mortality worldwide. Targeted therapy has been the focus of drug discovery to achieve better efficacy a

Sarmoko, Nisa Yulianti Suprahman, Anjar Hermadi Saputro, Iwan Syahjoko Saputra, Khaerunnisa Anbar Istiadi, Arif Fadlan, Fadilah, I Gede Raditya Purwanata, Vito Rahmat Fitrah. J Pharmacopuncture 2026;29:61-74. https://doi.org/10.3831/KPI.2026.29.1.61

Topical delivery of Momordica charantia (bitter melon) extract is a promising approach for anti-inflammatory and antioxidant therapy, yet the performance of the dosage form depends strongly on the composition of the formulation base. This study aimed to optimize a two-component vaseline–lanolin ointment base for M. charantia extract using a simplex lattice mixture design. Five blends spanning the binary mixture space were prepared and characterized for viscosity, spreadability, adhesiveness, and pH. Polynomial mixture models were fitted to each response, model adequacy was assessed by analysis of variance and lack-of-fit testing, and a multi-response Derringer desirability function was applied to locate a compromise optimum, which was then verified experimentally. Increasing the lanolin proportion generally increased viscosity and adhesiveness but reduced spreadability, whereas higher vaseline fractions improved spreadability while maintaining pH within a skin-compatible range. The models showed good fit and predictive utility, and the selected blend (vaseline:lanolin = 70:30) met all predefined physical criteria, with observed responses showing no significant difference from predicted values. In conclusion, simplex lattice optimization efficiently guided the vaseline–lanolin ratio toward a base with favorable rheological properties, providing a useful and reproducible platform for incorporating M. charantia extract in future efficacy and stability studies.

Psoriasis is a chronic immune-mediated inflammatory skin disorder characterized by keratinocyte hyperproliferation, persistent inflammation, dysregulated apoptosis, and tissue remodeling. Momordica charantia has attracted attention as a potential anti-psoriatic herbal candidate; however, the molecular basis of its bioactive metabolites remains insufficiently understood. This study investigated the anti-psoriatic potential of cucurbitane-type triterpenoids from M. charantia using integrated network pharmacology and molecular docking. Of 192 secondary metabolites, 50 passed pharmacokinetic and toxicity screening, yielding 347 predicted human targets, of which 159 overlapped with 3,383 psoriasis-associated genes. Key hub genes identified by protein-protein interaction and topological analyses included AKT1, TNF, EGFR, STAT3, IL1B, CASP3, MMP9, HIF1A, and ESR1, with enriched biological processes related to oxidative stress, lipid and hormonal responses, and intracellular receptor signaling. Molecular docking of five cucurbitane-type triterpenoids against four validated hub proteins demonstrated consistently favorable predicted binding affinities for AKT1 via its allosteric pocket, as well as for EGFR and IL1B. Karavilagenin A showed the most favorable binding energy against AKT1, momordicin I against EGFR and IL1B, and cucurbitacin B demonstrated favorable profiles across multiple targets. These findings suggest that M. charantia may influence psoriasis-related biology through multi-target mechanisms, providing a basis for further experimental validation.

Chronic inflammation contributes to a wide range of diseases, driving the need for novel anti-inflammatory agents with minimal side effects. The NACHT domain of NLRP3 mediates ATP-dependent inflammasome assembly and represents a validated target for anti-inflammatory therapy. This study aimed to predict and compare the binding interactions of twenty-two cucurbitacin variants against the NACHT domain using molecular docking, following geometry optimization with Density Functional Theory (B3LYP/6-31G(d)). Docking validation reproduced the native ligand pose with an RMSD of 0.87 angstrom. Among all variants tested, 11-deoxycucurbitacin I showed the most favorable predicted binding energy (-7.38 kcal/mol), sharing several interacting residues with the native ligand RM5, including Ala227, Ala228, Pro352, Ile411, Phe575, and Met661, although its predicted affinity remained weaker than that of RM5 (-10.35 kcal/mol). These shared contacts suggest that 11-deoxycucurbitacin I may engage a similar region of the NACHT inhibitor-binding pocket as RM5. In conclusion, 11-deoxycucurbitacin I is identified as the most favorable predicted binder among the cucurbitacin variants tested toward the NACHT domain, representing a candidate warranting further experimental validation.