SAINSTEK International Journal on Applied Science, Advanced Technology and Informatics

In Silico Evaluation of Bioactive Compounds from Artocarpus heterophyllus Leaves as Potential Aromatase Inhibitors for Estrogen Receptor Positive Breast Cancer

Wed, 31 Dec 2025 00:00:00 +0000

Breast cancer remains one of the leading causes of mortality among women worldwide, particularly estrogen receptor positive subtypes that depend on aromatase (CYP19A1) activity for estrogen biosynthesis. This study aims to evaluate phytochemical compounds isolated from Artocarpus heterophyllus leaves as potential natural aromatase inhibitors using an integrated in silico approach. A total of ten reported secondary metabolites were analyzed alongside Letrozole as a reference inhibitor. Molecular docking was performed against human aromatase (PDB ID: 4GL7) using MOE 2019, and protocol validation was confirmed by redocking of the native ligand with RMSD values below 2.0 Å. The results show that 3 prenyl luteolin, prenyl caffeate, and artocarpanone exhibited strong binding affinities of -7.7958, -7.0193, and -6.9688 kcal/mol, respectively, exceeding that of Letrozole (-6.8069 kcal/mol), with stable docking conformations. Drug likeness evaluation indicates that all tested compounds comply with Lipinski and Veber rules, present acceptable polar surface area, limited rotatable bonds, and a bioavailability score of 0.55. ADMET prediction reveals high gastrointestinal absorption, moderate distribution, controlled clearance, and low toxicity risk, with no predicted AMES mutagenicity or hepatotoxicity for most compounds. These findings suggest that A. heterophyllus contains promising bioactive metabolites with favorable binding characteristics and pharmacokinetic profiles, supporting their potential as lead candidates for the development of safer, plant derived aromatase inhibitors for estrogen dependent breast cancer therapy.

In silico analysis of Kemukus (Piper cubeba) as an antidyspeptic through inhibition of histamine H₂ receptors (3UZE)

Popy Meylani, Herland Satriawan — Wed, 31 Dec 2025 00:00:00 +0000

Dyspepsia is strongly associated with excessive gastric acid secretion mediated by histamine H₂ receptors. Natural products such as Piper cubeba have long been used to alleviate digestive disorders, yet their molecular mechanisms remain underexplored. This study aimed to evaluate the antidyspeptic potential of ten major compounds from P. cubeba through in silico docking against the histamine H₂ receptor structure (3UZE), with ranitidine as a positive control. Molecular docking was performed to predict binding affinity and interaction profiles within the receptor’s active site. Several cubeb constituents demonstrated favorable binding energies and key interactions comparable to the standard ligand, suggesting potential inhibitory activity. These findings provide preliminary evidence that P. cubeba bioactive compounds may act as histamine H₂ receptor modulators and support their further investigation as natural antidyspeptic candidates.

Advancements in Plasma-Enhanced Chemical Vapor Deposition of Multi-Walled Carbon Nanotubes on Si/SiO2 Substrates: A Comprehensive Review

Salshabela Permata Sari, Zykamilia Kamin , Ahmadi Zikri — Wed, 31 Dec 2025 00:00:00 +0000

This review paper provides an in-depth exploration of the advancements in the field of plasma-enhanced chemical vapor deposition (PECVD) for the deposition of multi-walled carbon nanotubes (MWCNTs) on Si/SiO2 substrates. The study investigates the growth process of MWCNTs utilizing iron catalytic nanoparticles generated from the decomposition of Fe(CO)5. The deposition of iron oxide nanoparticles is accomplished through a microwave plasma torch with a dual-flow nozzle electrode, as previously described in the literature. The Si/SiO2 substrate is placed in a holder accommodating multiple samples, each with a deposition area of 4 × 4 mm. Argon serves as the carrier gas, with controlled flow rates through the central and outer channels. The deposition process is conducted for 15 seconds at a plasma power of 210 W. The resulting MWCNTs' structural characteristics, such as density, alignment, and uniformity, are examined. This comprehensive review highlights the intricate interplay of process parameters and their influence on MWCNT growth. The insights provided contribute to a better understanding of PECVD-based MWCNT synthesis and pave the way for optimizing these processes for various applications, including electronic and energy devices.

Optimization of pH for Enhanced Sb(III) Ion Removal Using Fe3O4/HCO Sorbent: A Comprehensive Review

Joseph Rezeki Hulu, Mohammad bin Abdullah — Wed, 31 Dec 2025 00:00:00 +0000

In the context of environmental remediation, this study focuses on optimizing the removal efficiency of Sb(III) ions using the Fe3O4/HCO sorbent. The effect of pH on the removal process is investigated comprehensively. Sb(III) ions are of environmental concern due to their toxicity. The Fe3O4/HCO sorbent has shown promising capabilities in Sb(III) removal, attributed to its surface reactivity and magnetic recoverability. This review paper critically examines the influence of pH variations on the removal performance. Through a synthesis of available literature, it delves into the interactions between pH, sorbent surface chemistry, and Sb(III) speciation during sorption. The systematic analysis of experimental findings highlights the pivotal role of pH in determining sorption capacity and kinetics. The comprehensive understanding of pH-dependent Sb(III) removal mechanisms can provide valuable insights for designing efficient sorbent-based water treatment systems. This review consolidates current knowledge, identifies research gaps, and proposes future directions for furthering the optimization of Sb(III) removal strategies using Fe3O4/HCO sorbents.

Advances in Solvent Effects on Catalysis, Electrochemistry, and Energy Storage: Mechanisms and Application

Nikmatusyadiah, Ahmadi Zikri , Devi Purnamasari , Marido Bisra — Wed, 31 Dec 2025 00:00:00 +0000

Choosing the appropriate solvent is a pressing challenge in the development of efficient and selective liquid phase catalytic processes because there is still a lack of predictive understanding about the solvent effect. This study develops an attenuated total reflection infrared spectroscopy method to measure the adsorption isotherms on porous materials in solvent and to distinguish the thermodynamic contributions of pore-phase proton transfer from those of van der Waals interactions within zeolite pore walls. While both the pore diameter and the solvent identity have a major impact on the confinement (adsorption) step, the solvent identity has a greater impact on proton transfer. Combining computational and experimental studies, we find that the optimal sequence for pore-phase proton transfer to pyridine is water, acetonitrile, and 1,4-dioxane.