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All Journal Journal of Mathematical and Fundamental Sciences BioWallacea Journal of Biological Research KOVALEN: Jurnal Riset Kimia Jurnal Kimia Riset Al-Kimia Indonesian Journal of Chemistry Chemistry Indonesian Journal of Chemical Research GERVASI: Jurnal Pengabdian kepada Masyarakat JKPK (Jurnal Kimia dan Pendidikan Kimia) Dimasejati: Jurnal Pengabdian Kepada Masyarakat Jurnal Pengabdian kepada Masyarakat Nusantara Jurnal Mandala Pengabdian Masyarakat Jurnal Pijar MIPA Journal Of Human And Education (JAHE)
Muhamad Jalil Baari
Department Of Chemistry, Faculty Of Science And Technology, Universitas Sembilanbelas November Kolaka, Jl. Pemuda, Kolaka 93511, Indonesia
Agriculture, Biological Sciences & Forestry Humanities Astronomy Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Earth & Planetary Sciences Economics, Econometrics & Finance Education Engineering Environmental Science Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Mathematics Physics Public Health Social Sciences Veterinary Other

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QSAR ANALYSIS USING SEMI-EMPIRICAL AM1 METHOD, MOLECULAR DOCKING, AND ADMET STUDIES OF CHALCONE DERIVATIVES AS ANTIMALARIAL COMPOUNDS Kurniawan, Muhammad Akbar S; Baari, Muhamad Jalil; Sariyanti, Sariyanti; Finarisnawati, Finarisnawati
Jurnal Kimia Riset Vol. 8 No. 2 (2023): December
Publisher : Universitas Airlangga, Campus C Mulyorejo, Surabaya, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jkr.v8i2.51798

Abstract

Malaria is a serious caused by protozoan parasites such as Plasmodium groups and has fatal consequences for human health. The increase in the resistance of the Plasmodium parasites toward existing antimalarial drugs prompts the exploration of novel compounds. In this study, quantitative structure-activity relationship (QSAR) analysis using the semi-empirical AM1 method was conducted to identify the optimal model that relates physicochemical properties and biological activity of chalcone derivatives.  In addition, ADMET prediction and molecular docking were also carried out. Multilinear regression calculations for statistical parameters of QSAR models revealed that Model 4, with 11 independent variables, provided the best predictions and exhibited a robust correlation with antimalarial activity represented by inhibitory concentration (IC50). ADMET predictions indicated favorable absorption, distribution, metabolism, excretion, and toxicity properties, particularly for B2D, showing promising antimalarial attributes. Molecular docking studies targeting 5 mutated PfDHODH proteins revealed B2D's potential to reach therapeutic targets efficiently. It has low docking scores for mutations I (-10.5 kcal/mol), II (-8.6 kcal/mol), and V (-10.5 kcal/mol) with RMSD < 2í…, in carrying out its role for antimalarial activity. This research successfully identifies B2D as an efficient inhibitor of PfDHODH receptors. Thus, it is a highly promising novel antimalarial drug.
Implementasi Software Hyperchem sebagai Media Praktikum Elektronik Visualisasi Struktur dan Sifat Senyawa Kimia di SMAN 1 Mawasangka Timur Baari, Muhamad Jalil; Na’ani, L A; Agusriyadin, Agusriyadin; Megawati, Megawati; Anindita, Faradisa; Alif, Alfiah; Salim, Salim; Andas, Netty Huzniati; Prasetya, Arif; Sarimuddin, Sarimuddin; Permana, Dian
Dimasejati: Jurnal Pengabdian Kepada Masyarakat Vol 5, No 3 (2023): Penguatan Peran Perguruan Tinggi dalam Percepatan Pembangunan Sumber Daya Manusi
Publisher : IAIN Syekh Nurjati Cirebon

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24235/dimasejati.v5i3.13507

Abstract

Chemistry is not merely a science that only studies theory in class. Chemistry learning requires practical or experimental activities to observe and directly apply chemical concepts during face-to-face meetings in class. Meanwhile, the unavailability of laboratory facilities is one of the factors in not carrying out chemistry practice. This causes students difficulties in understanding the concept of chemistry as a whole and can potentially reduce learning motivation. This public service activity aims to implement the Hyperchem software for teachers and students of SMA Negeri 1 Mawasangka Timur as an alternative solution for chemistry labs in the form of electronic labs. The chemical topics selected and considered suitable for this type of practice were the structure and properties of chemical compounds. This activity is carried out in the form of a workshop. Workshop materials use lectures, simulations, discussions, and question-and-answer models. The activity's results showed the workshop participants' enthusiasm to use the Hyperchem software as a chemistry lab media. This is reflected in the evaluation of the workshop implementation, which is carried out by assessing the response of the workshop participants based on indicators of relevance, the ability of the presenters, ease of use, availability, and usefulness of the Hyperchem software. The evaluation results show that the workshop and the implementation of the Hyperchem software as an electronic practice media for visualizing the structure and properties of chemical compounds received a positive response from the workshop participants.
Studi Teoritis Derivat 4,5-Difenil Imidazol Sebagai Inhibitor Korosi Besi dengan Teori Fungsi Kerapatan (DFT) Baari, Muhamad Jalil; Alif, Alfiah; Kurniawan, Muhammad Akbar S; Finarisnawati, Finarisnawati
Al-Kimia Vol 12 No 1 (2024): JUNE
Publisher : Study Program of Chemistry - Alauddin State Islamic University of Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/al-kimia.v12i1.43475

Abstract

Corrosion is a severe problem in the petroleum industry. The use of corrosion inhibitors is an effort to reduce the corrosion rate on metal materials. This study used the computational chemistry approach to investigate the corrosion inhibition performances of 4,5-diphenyl imidazole and its derivatives with additional substituents, for instance, electron acceptors and electron donors. Geometry optimizations and calculations of molecular frontier orbital energies were conducted using density functional theory (DFT) in the aqueous phase. These frontier orbital energy values were used to determine other reactivity and stability parameters, such as band gap energy, electron affinity, ionization potential, chemical hardness, chemical softness, number of electron transfers, chemical potential, nucleophilicity, electrophilicity, electronegativity, back donation energy, and interaction energy. Electrostatic potential, Mulliken atomic charge, and theoretical inhibition efficiency of 4,5-diphenyl imidazole derivatives were also determined. Generally, the presence of electron donor substituents theoretically increases corrosion inhibitors. The 4,5-diphenyl imidazole with –NH2 substituent is a better derivative than others based on several reactivity and stability parameters due to adding adsorption centers. Therefore, it can increase the performance of 4,5-diphenyl imidazole as a corrosion inhibitor. The adsorption behaviors of 4,5-diphenyl imidazole and its derivatives on Fe(100) surfaces were investigated using molecular dynamics simulation. The binding energies of three types of inhibitors on the Fe surface of studied inhibitors followed the order: D–NH2 > 4,5-diphenyl imidazole (D) > D–NO2. This ranking obtained is consistent with the theoretical inhibition efficiency.
Pelatihan Asisten Praktikum Laboratorium Kimia Program Studi Kimia Fakultas Sains Dan Teknologi Universitas Sembilanbelas November Kolaka Alif, Alfiah; Megawati, Megawati; Anindita, Faradisa; Baari, Muhamad Jalil; Agusriyadin; La Na’ani; Kurniawan, Muhammad Akbar S.; Mubarak, Azhar Aras
Journal Of Human And Education (JAHE) Vol. 5 No. 1 (2025): Journal of Human And Education (JAHE)
Publisher : Universitas Pahlawan Tuanku Tambusai

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31004/jh.v5i1.2183

Abstract

Program Studi kimia merupakan salah satu program studi Fakultas Sains dan Teknologi di Universitas Sembilanbelas November Kolaka. Dalam pelaksanaan tridarma perguruan tinggi suatu perguruan tinggi ataupun prodi yang berada pada level operasional yang membutuhkan suatu kegiatan-kegiatan yang memberikan motivasi dalam memberikan arahan khususnya dalam melakukan penelitian. Pelatihan asisten praktikum ini kami lakukan dengan harapan mampu memberikan motivasi dan semangat kepada asisten dalam melaksanakan tugas sebagai asisten praktikum. Undang-undang Tahun 2012 mengatur tentang Pendidikan Tinggi mempunyai tujuan untuk mengembangkan potensi mahasiswa menjadi insan yang beriman, bertakwa kepada Tuhan yang Maha Esa, berakhlak mulia, sehat, berilmu, cakap, kreatif, mandiri, terampil, kompeten dan berbudaya untuk kepentingan bangsa dan negara. Adapun rangkaian acara kegiatan tersebut antara lain orientasi tata tertib laboratorium prodi kimia FST USN Kolaka, materi praktikum, pengenalan alat pelindung diri (APD), peralatan instrumen yang ada di laboratorium prodi kimia, pemaparan terkait sifat-sifat bahan yang umum digunakan di laboratorium serta mekanisme pelaksanaan praktikum. Pelatihan ini bertujuan untuk meningkatkan pengetahuan dan membekali asisten laboratorium dalam menjalankan tugas sebagai Asisten Praktikum Kimia
Investigation of Pharmacokinetics, Molecular Docking, and Dynamics of Xanthomicrol-Derived Compounds Against Various Mutated Proteins in Lung Cancer Cells Kurniawan, Muhammad Akbar S; Baari, Muhamad Jalil; Sabila, Laili Cahyani; Amin, Rana Triana
Indonesian Journal of Chemical Research Vol 13 No 1 (2025): Edition for May 2025
Publisher : Jurusan Kimia, Fakultas Sains dan Teknologi, Universitas Pattimura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30598/ijcr.2025.13-muh

Abstract

Lung cancer remains one of the leading causes of global mortality, primarily due to drug resistance and the adverse effects of conventional therapies. Therefore, the discovery of novel compounds that are both effective and safe is crucial for the development of alternative treatments. This study employed a computational approach to evaluate the therapeutic potential of Xanthomicrol-derived compounds targeting mutated proteins commonly associated with lung cancer. Four derivatives (u1a, u2a, u3a, and u4a) were assessed using pharmacokinetic (ADMET) predictions, molecular docking, and molecular dynamics simulations against ten mutated lung cancer-related proteins (1nq1, 1x2j, 4b3z, 4j97, 5l2q, 6pwa, 6usx, 7pgk, 7pgl, and 7r7k). ADMET predictions revealed that all compounds had good gastrointestinal absorption, did not cross the blood–brain barrier, and exhibited favourable safety profiles. Among them, compound u3a showed the highest binding affinity toward seven mutated proteins, with docking scores ranging from -5.9 to -9.4 kcal/mol. Molecular dynamics simulations further supported the stability of u3a protein interactions, indicated by low RMSF values and an optimal radius of gyration. These results suggest that u3a is a promising candidate for targeted lung cancer therapy and warrants further experimental validation.
Sosialisasi dan Pelatihan Pembuatan Eco Enzyme dari Sampah Organik Rumah Tangga di Desa Tanailandu, Kabupaten Buton Tengah Megawati , Megawati; Baari, Muhamad Jalil; Anindita, Faradisa; Alif, Alfiah; Agusriyadin, Agusriyadin; Na'ani, L.A.; Mbuli, Firnayanti; Nurmira, Nurmira; Waangkaali; Hairia, Warda; Kurniawan, Muhammad Akbar S.; Fazira, Yuli; Fitria Mukti, Elisa; Inda, Inda; Indriani, Windi
Journal Of Human And Education (JAHE) Vol. 4 No. 3 (2024): Journal of Human And Education
Publisher : Universitas Pahlawan Tuanku Tambusai

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31004/jh.v4i3.993

Abstract

Kegiatan pengabdian kepada masyarakat (PkM) ini dilakukan sebagai upaya untuk meningkatkan pengetahuan dan keterampilan masyarakat dalam mengelola sampah organik yang berasal dari rumah tangga menjadi eco enzyme. Eco enzyme adalah cairan alami serbaguna hasil fermentasi dari campuran sisa sayuran/buah, gula, dan air. Kegiatan PkM dilakukan di desa Tanailandu Kecamatan Mawasangka Kabupaten Buton Tengah pada tanggal 01 Mei 2023, yang ditujukan kepada ibu rumah tangga yang tergabung dalam Kelompok Pemberdayaan Kesejahteraan Keluarga (PKK) Desa Tanailandu. Tujuan dari Pkm ini adalah untuk mentransfer pengetahuan dan teknik pengolahan sampah organik menjadi eco enzyme dan memotivasi masyarakat untuk berpartisipasi dalam pelestarian lingkungan. Pelaksanaan Pkm dilakukan melalui tiga tahapan yaitu observasi awal dan koordinasi dengan pemerintah Desa Tanailandu tentang pelaksanaan kegiatan, sosialisasi materi eco enzyme dan praktik pembuatan eco enzyme. Kegiatan PkM berlangsung dengan lancar yang ditandai dengan apresiasi dan antusiasme peserta ibu PKK Desa Tanailandu selama melaksanakan kegiatan pembuatan eco enzyme.
Edukasi Dan Pendampingan Uji Logam Berat Usaha Perkebunan Hidroponik Say Your Green Kolaka Sebagai Upaya Menjaga Keamanan Pangan Megawati, Megawati; Baari, Muhamad Jalil; Anindita, Faradisa; Alif, Alfiah; Agusriyadin, Agusriyadin; Na’ani, La; Risnawati, Fina; Apriliya, Ella; Mubarak, Azhar Aras
Jurnal Pengabdian kepada Masyarakat Nusantara Vol. 6 No. 4 (2025): Edisi Oktober - Desember
Publisher : Lembaga Dongan Dosen

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55338/jpkmn.v6i4.7183

Abstract

Keamanan pangan merupakan aspek penting dalam mendukung kesehatan masyarakat, khususnya pada produk hortikultura yang dihasilkan melalui sistem hidroponik. Salah satu potensi risiko yang perlu diantisipasi adalah paparan logam berat yang dapat mencemari media tanam. Kegiatan pengabdian ini bertujuan untuk memberikan edukasi tentang bahaya logam berat pada sayuran hidroponik serta memberikan pendampingan uji logam berat pada pelaku usaha pertanian hidroponik Say Your Green di Kolaka. Metode yang digunakan meliputi penyuluhan interaktif berbasis media poster edukasi serta pengujian ekperimetal di laboratorium untuk analisis kadar logam timbal (Pb) pada salah satu komoditi sayuran segar hidroponik (seledri) menggunakan instrumentasi ICP-OES (Induktif Coupled Plasma Optical Emission Spectrometry). Hasil kegiatan pengabdian ini telah menunjukkan perkembangan yang cukup signifikan terkait wawasan logam berat pada pelaku usaha pertanian sayuran hidroponik terutama aspek regulasi dan pengujian logam berat pada sayuran. Hasil analisis logam berat pada sayuran hidroponik seledri kebun Say Your Green menunjukkan bahwa sampel yang dianalisis tidak mengandung logam berat Pb, sehingga produk sayuran hidroponik dari kebun Say Your Green relatif aman dikonsumsi. Dengan adanya edukasi dan pendampingan uji logam berat ini, diharapkan usaha hidroponik Say Your Green mampu menjaga kualitas produknya dan meningkatkan kepercayaan konsumen terhadap keamanan pangan yang dihasilkan.
Antioxidant activity of Eucheuma cottonii Seaweed Extracts from Central Mawasangka Waters Megawati, Megawati; Samaria, Siti; Baari, Muhammad Jalil
Jurnal Pijar Mipa Vol. 19 No. 4 (2024): July 2024
Publisher : Department of Mathematics and Science Education, Faculty of Teacher Training and Education, University of Mataram. Jurnal Pijar MIPA colaborates with Perkumpulan Pendidik IPA Indonesia Wilayah Nusa Tenggara Barat

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jpm.v19i4.6788

Abstract

Eucheuma cottonii is one type of seaweed that has the potential to be an antioxidant. This seaweed grows and is distributed in various waters of Indonesia, especially in Southeast Sulawesi. However, information regarding the antioxidant activity and the compound content of E. cottonii in this area is still limited. Therefore, this research aims to determine the compound and antioxidant activity profile in E. cottonii. The study used laboratory experimental methods. The research stages were preparation (seaweed sampling), extraction, qualitative phytochemical screening, and antioxidant assay. The initial identification of compounds using qualitative phytochemical screening methods with three extraction solvents: ethanol, ethyl acetate, and n-hexane. Meanwhile, the antioxidant test employed the DPPH (2,2-diphenyl-1-picrylhydrazyl) method. The results of qualitative phytochemical screening revealed that the seaweed extract of E. cottonii contains saponins, tannins, and terpenoids. The antioxidant assay using the DPPH method indicated that among the three extraction solvents used, ethanol extract exhibited a very strong antioxidant activity (with an IC50 of 30,036 ppm), compared to ethyl acetate extract (IC50 of 182,179 ppm) and n-hexane extract (IC50 of 641,454 ppm). This study concluded that E. cottonii seaweed has the potential to be developed as a source of natural antioxidants or raw material for the discovery of antioxidant medicines in the future.
Co-Authors Abd Gani Baeda Agusriyadin, Agusriyadin Alif, Alfiah Amalyah Febryanti Amin, Rana Triana Andas, Netty Huzniati Apriliya, Ella Arif Prasetya Awal, Samsi Benu, Didi Prasetyo Bunbun Bundjali Bunbun Bundjali Carla Sabandar Carla Wulandari Sabandar Deana Wahyuningrum Dian Permana Evodius Nasus Faradisa Anindita Fazira, Yuli Finarisnawati, Finarisnawati Fitria Mukti, Elisa Gaby Nanda Kharisma Hairia, Warda Hasan Eldin Adimu Hasidu, La Ode Abdul Fajar Ica Aprilia Seleng Ilham Antariksa Tasabaramo Inda, Inda Indriani, Windi Kamaruddin, Harni Sartika Kamur, Sudarwin Khafidzah Yusuf Kurniawan, Muhammad Akbar S Kurniawan, Muhammad Akbar S. La Harimu La Na’ani Maharani Mbuli, Firnayanti Megawati , Megawati Megawati - Megawati Megawati Megawati, Megawati mubarak, azhar aras Muh Syahruddin Muh. Ansar Azali Muhammad Rayzhal Faturahman Muhammad Syaiful Na'ani, L.A. Nasrudin Nasrudin Na’ani, La Nun Ainun Arap Nur Afifa Nurliana Nurliana Nurmira, Nurmira Ramad Arya Fitra Ravensky Yurianty Pratiwi Retno Wahyuningrum Rezkiya Nur Insani Rina Hardianti Pratiwi Rina Rembah Risnawati, Fina Rizki Kumalasari Sabila, Laili Cahyani Salim Salim Samaria, Siti Sarimuddin, Sarimuddin Sariyanti, Sariyanti Sri Gita Handayani Susianti Susianti Syamsul Arifin Waangkaali Wahyuni Hakim Yayang Rahmadani