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All Journal Padjadjaran Journal of Dentistry Journal of Applied Pharmaceutical Research
Kumar, Krishna
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Biochemistry, Genetics & Molecular Biology Dentistry Health Professions Immunology & microbiology Medicine & Pharmacology Public Health

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Pharmacophore insights and molecular docking of ciprofloxacin analogues against 2XE1: strategies for reduced antibiotic resistance Katlaria, Sanjana; Chauhan, Ashish Singh; Kumar, Krishna; Kumar, Mohit; Chauhan, Bhumika; Jakhmola, Vikash
Journal of Applied Pharmaceutical Research Vol. 12 No. 6 (2024)
Publisher : Creative Pharma Assent

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.69857/joapr.v12i6.660

Abstract

Background: Antibiotic resistance is a silent pandemic disease that is growing and causing a global threat. Existing antibiotics are less effective against infectious diseases, so we must discover more potent and effective drugs. The latest report from the World Health Organization (WHO) underscores the global nature of the situation, revealing that high levels of antibiotic resistance in bacteria worldwide lead to life-threatening bloodstream infections and resistance to treatment. Methods: This study focuses on the Molecular Docking and Pharmacophore Modeling of Ciprofloxacin and its analogs to explore ligand-protein interactions and identify potent drugs against AMR. Twenty ciprofloxacin analogs, designed using ChemDraw Pro12.0, were docked with the 2XE1 protein. Molecular docking assessed the binding affinity, with Arguslab 4.0 scoring the lowest docking scores to indicate strong interactions and biological activity. Pharmacophore modeling identified essential molecular features like HBA, HBD, and AI for optimal biological activity. Results: The computational screening identified several compounds with improved binding properties, showing greater affinity towards ALA129, TYR149, and PHE88 amino acids, essential for biological activity. Conclusion: The study identifies the best analog of ciprofloxacin, which can effectively combat antibiotic resistance. Compound 13 showed promising docking scores and relevant pharmacophoric features, outperforming the parent ciprofloxacin in binding affinity, suggesting it could be a potent drug candidate against AMR.
The association between frequency of consumption of gluten-containing foods and caries index in children with ADHD: A cross-sectional study Puteri, Mega Moeharyono; Tedjosasongko, Udijanto; Putri, Maudiva Tasya; Febriyanti, Iryunia; Tiongin, Arella Velika Karla; Ainistikmalia, Rania Nurin; Kumar, Krishna
Padjadjaran Journal of Dentistry Vol 38, No 2 (2026): July 2026
Publisher : Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/pjd.vol38no2.68792

Abstract

Introduction: Attention Deficit Hyperactivity Disorder (ADHD) is a neurodevelopmental disorder characterized by inattention, hyperactivity, and impulsivity, which may influence dietary behaviors and oral health, particularly the risk of dental caries. Gluten-containing foods are commonly consumed by children and may contribute to cariogenic exposure, especially in children with ADHD who tend to have irregular eating habits and may have poorer oral hygiene, including less frequent toothbrushing. In addition, stimulant medications commonly prescribed for ADHD may reduce salivary flow and potentially affect salivary buffering capacity. This study aimed to assess the association between the frequency of consumption of gluten-containing foods and caries index in children with ADHD. Methods: A cross-sectional study involving 34 children aged 6–12 years diagnosed with ADHD was conducted in special needs schools in Surabaya. The frequency of consumption of gluten-containing foods was assessed using a semi-quantitative Food Frequency Questionnaire, while dental caries was assessed using the DMF-T index based on WHO criteria. Data analysis was performed using Spearman’s rank correlation test to determine the association between the frequency of consumption of gluten-containing foods and caries index. Results: The majority of children demonstrated a moderate level of consumption of gluten-containing foods and a moderate to high caries index. Statistical analysis revealed a strong and significant positive correlation between the frequency of consumption of gluten-containing foods and caries index (r = 0.989; p < 0.05), indicating that more frequent consumption of gluten-containing foods was associated with higher dental caries index in children with ADHD. Conclusion: This study showed a significant association between the frequency of consumption of gluten-containing foods and caries index in children with ADHD, suggesting that dietary habits may contribute dental caries. These findings support the importance of integrating dietary management and oral hygiene education into preventive strategies for children with ADHD.
Co-Authors Ainistikmalia, Rania Nurin Chauhan, Ashish Singh Chauhan, Bhumika Febriyanti, Iryunia Jakhmola, Vikash Katlaria, Sanjana Kumar, Mohit Mega Moeharyono Puteri Putri, Maudiva Tasya Tiongin, Arella Velika Karla Udijanto Tedjosasongko