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All Journal Jurnal Kartika Kimia Exact Paper In Compilation (EPIC)
Novianti, Tria Nurwina
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Education Engineering Environmental Science

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Analisis Pemetaan Komputasi Bibliometrik Artikel Penelitian Partikel Fe2O3 Menggunakan Vosviewer Novianti, Tria Nurwina; Nandiyanti, Asep Bayu Dani
Exact Papers in Compilation (EPiC) Vol 4 No 4 (2022): November 2022
Publisher : Lembaga Penelitian Pengabdian Masyarakat Universitas KH. A. Wahab Hasbullah

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.32764/epic.v4i4.833

Abstract

This study aims to examine the development of Fe2O3 particle research with bibliometric analysis through the application of computation using VOSviewer. The article data is sourced from Google Scholar obtained with the reference manager application, publish or perish 8. The search is based on the keyword “Fe2O3, particles, paint and coating” contained in the title and abstract. The search yielded 992 articles matching keywords with a publication range from 2012 to 2022. Based on the search results, there were 240 other related items with a total link strength of 19,323 and briefly divided into 7 clusters. The results of the analysis of engineering development for the last 10 years show results that increase every year, except in 2022. This decline occurs from 2021 with 141 published articles, and in 2022, 120 articles have been published. This is based on search data as of September 2022. , so it is still possible to occur at the end of 2022. This research can be used as a prelude to research related to Fe2O3 particles.
QSAR, ADMET, and Molecular Docking of Pyrazole Carboxamide Derivatives as Potential Antifungals Against the Fungus Rhizoctonia solani Aziz, Hafiz Aji; Sari, Adani Ghina Puspita; Al-Ghani, Ranggaweny; Novianti, Tria Nurwina
Jurnal Kartika Kimia Vol 7 No 1 (2024): Jurnal Kartika Kimia
Publisher : Department of Chemistry, Faculty of Sciences and Informatics, University of Jenderal Achmad Yani

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26874/jkk.v7i1.234

Abstract

Sheath blight is generally caused by the fungus R. solani. The emergence of this fungus causes losses for farmers due to reduction of grain crops (cerelia) production such as rice. Thus, the use of antifungal compounds containing succinate dehydrogenase inhibitors is an effort to control sheath blight of the fungus R. solani. This research examines a new pyrazole carboxamide derivative designed as a succinate dehydrogenase inhibitor. Antifungal activity value prediction was determined using the Quantitative Structure-Activity Relationship (QSAR) equation and visualization of the interaction of pyrazole carboxamide derivatives with succinate dehydrogenase inhibitors was determined using molecular docking. A total of 29 pyrazole carboxamide derivatives and activities (EC50) were used in this study for QSAR modelling and molecular docking. The structure was optimized using the DFT/B3LYP/LanL2DZ method as an electronic descriptor calculation and QSAR modelling using the Multiple Linear Regression (MLR) method. The MLR test shows a valid QSAR equation model with good modelling accuracy and produces an equation logEC50 = 2.3936( 0.9447)[C13] + 9.1367 ( 3.0682)[C10] + 2.2473( 0.6055)[HOMO] - 48.1289( 14.1289)[C4] + 1.3937( 0.9465)[C14] + 28.3750( 6.6731) with R2tr = 0.8911; Q2 = 0.793; F = 28.079; R2val = 0.9908; and RMSE = 0.3450. ADMET analysis using ADMETlab indicated that the new pyrazole carboxamide derivative complies with Lipinski's rules, is moderately carcinogenic, and includes inhibiting the activity of hERG blockers. The new pyrazole carboxamide derivatives that have potential as succinate dehydrogenase inhibitors were determined based on the interaction of the docking results, namely compound A1, A5, and A7 -4.9, -5.1, and -5.3 kcal/mol, respectively.
Co-Authors Al-Ghani, Ranggaweny Aziz, Hafiz Aji Nandiyanti, Asep Bayu Dani Sari, Adani Ghina Puspita