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The petrogenesis study of ultramafic igneous rocks in the South Konawe Region has been carried out by several previous researchers, however, petrogenesis of ultramafic igneous rocks in the Waturapa Region has never been carried out in detail. This study aims to determine the characteristics and petrogenesis of ultramafic igneous rocks in the Waturapa area using petrographic and geochemical analysis using the XRF method. Petrographic analysis was carried out to determine the relative abundance percentage of primary minerals in the form of olivine, clinopyroxene, orthopyroxene, and opaque minerals as well as secondary serpentine minerals which were formed later. Meanwhile, XRF geochemical analysis is used to determine the major and minor oxide content in rocks. This geochemical data is used to determine ultramafic rock types, and magma series and to interpret the tectonic setting of the research location. The results showed that the ultramafic rocks in the study area consisted of olivine websterite and lherzolite, both of which have been serpentinized which is characterized by the presence of serpentine minerals such as lizardite and chrysotile. These serpentine minerals are present as replacement minerals and fracture-filling minerals. The geochemical characteristics of the analyzed rocks showed a SiO2 content of less than 45%, high MgO content, and low K2O, TiO2, Na2O3, and P2O5 compounds. The igneous rocks in the study area are classified as ultrabasic or ultramafic rocks (peridot gabbro). Ultramafic rocks in the study area belong to the tholeiitic magma series that formed in oceanic islands or oceanic intraplate margins.

Objective: Dandruff is a scalp problem that occurs in almost all people in the world. The main cause of dandruff is the growth of fungus on the scalp. This study aims to evaluate the antifungal activity of the Langir bark against Malassezia furfur, in vitro and in silico. Methods: In vitro testing was carried out using the agar diffusion method with paper disks to calculate the inhibition zones of the Langir stem bark extract and fractions, while the in silico test was carried out using the molecular docking method using Lanosterol 14-alpha demethylase receptors with a homology model using 5 compounds from the genus Albizia as ligands. Results: Antifungal activity of Langir bark extract showed significant activity in all concentrations (5-20%), and also for all fractions (p

Introduction: Alopecia is a hair loss that occur continuously and may occur in men, women and children. The causes of alopecia, including the use of cosmetics, medication, stress, postpartum period, hormonal disorders, and scalp infection. The purpose of this research is to determine the compounds contained in Petroselinum crispum that have the potential as antialopecia agents by predicting ligand-receptor binding and binding modes, predicting ADME by using Lipinski's rule, and also comparing the effectiveness with native ligand and minoxidil. Methodology: The process starts with protein and ligand structure preparation, then docking using Autodock Vina. Afterward, analyzed and visualized of the ligands docking, and predicted the ADME according to lipinski's rules using SwissADME and toxicity using PASS predistion. Result: There were 24 compounds found in Petroselinum crispum. Molecular docking simulation showed that six compounds had better binding affinities than minoxidil. Based on the results of prediction of ADMET values using the Lipinski rule and PASS Prediction, compound that are thought to have good activity is (+)–Marmesin compared to minoxidil. Conclusion: (+)–Marmesin to have better interactions with the androgen receptor, but not better than native ligands. thus, (+)–Marmesin can be used as antialopecia agents alternative terapy.

Hair loss and baldness are problems that are often found in clinical dermatology terms. This study aims to determine the ethanol extract of Albizia saponaria stem bark as a hair growth stimulant. The barks of Albazia saponaria has collected from the Tolaki tribe, South Konawe, Southeast Sulawesi. Extraction was carried out by maceration and it’s fractionated by using liquid-liquid extraction methods. Phytochemical screening according to the Farnsworth method. The hair growth activity for male rabbits is using the modified Tanaka method. The phytochemical screening showed that the ethanol extract contained tannins, alkaloids, flavonoids, saponins, phenols, and triterpenoids. The results of the hair growth activity showed that the ethanol and water extract of concentrations of 5%, 10%, 15%, and 20% significantly fertilized the rabbit male hairs for 24 days. The ethanol extract and water fraction with a concentration of 15% albizia barks have been showing a p-value

Jackfruit (Artocarpus heterophyllus Lamk) is a plant from the Moraceae family that is widespread in Indonesia. Empirically, jackfruit can be used to cure hypertension, diabetes, cancer, asthma, dermatosis, coughs, wounds, acne, and diarrhea. The bioactive compounds in jackfruit include phenolics and flavonoids, which function as natural antioxidants. This research investigated the antiradical activity of jackfruit seed extracts and fractions using DPPH (2-2-diphenyl-1-picrylhydrazyl) and examined the total phenolic and flavonoid contents which may be developed as functional medicines and foods. The jackfruit seed powder was extracted using the maceration method. Radical scavenging activities were measured using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) method. Total phenolic contents were determined using the Folin-Ciocalteu method. Meanwhile, the contents of flavonoids were determined using the aluminum chloride complex colorimetric method. The IC50 value of ethyl acetate fraction, methanol extract, n -hexane fraction, and water fraction was 5.435±0.064 µg/mL, 5.639±0.302 µg/mL, 7.201±0.475 µg/mL, and 9.134±0.2911 µg/mL, respectively. The phenolic and flavonoid contents of ethyl acetate fraction, methanol extract, n-hexane fraction, and water fraction were 49.597±1.589, 47.949±1.966, 41.214±4.354 and 35.504±0.913 g GAE/100 g of sample, respectively for phenolic, and 70.199±0.458, 65.228±0.615, 59.907±0.719, and 54.234±0.351 g of quercetin equivalent/100 g of sample, respectively of flavonoids, with a correlation value (R2 ) to antiradical power of 0.4582 for phenolic and 0.5281 for flavonoids. The ethyl acetate fraction of jackfruit seeds can be further developed as an anti -radicals and functional food.

Introduction: Okra, which belong to Malvaceae family, is well known used as a food ingredient due to its high fiber content. Objective: In this study, the antiradical strength of okra seed extracts and fractions was investigated. Methodology: Okra seeds were dried and macerated with ethanol. Further, it is fractionated by different solvents based on the level of polarity from the non-polar to the polar, including n-hexane, chloroform, ethyl acetate and water. The extracts and fractions were then tested for antiradical strength using DPPH and analysis of phenolic and flavonoid contents were performed. Results: Ethanol extract and fractions of okra seeds showed very strong free antiradical activity, and ethyl acetate fraction being strongest fraction with IC50 value of 10.097±0.074µg/mL. Meanwhile, the phenolic and flavonoid contents of ethyl acetate fraction were the highest among other fractions with the values of 61.412±0.196 EAG and 97.933±0.222 EQ, respectively, with correlation values (R2) 0.9281 (phenolic) and 0.6229 (Flavonoids). Conclusion: Extract and ethyl acetate fraction of Okra seed had good radical inhibition properties, which indicated its potential for further development assays.

Manusia dalam kehidupannya selalu mengantungkan diri dengan tanah, baik dilihat dari aspek ekonomis maupun dari aspek religius. Oleh karenanya setiap manusia dan badan hukum ingin memiliki dan menguasai tanah. Hukum Adat Sasak asli menyatakan bahwa anak perempuan tidak berhak mewarisi harta benda si pewaris yang berupa tanah dan rumah karena anak perempuan adalah anak yang akan dibawah keluar oleh suaminya. UUPA menentukan tiap-tiap warganegara Indonesia, baik laki-laki maupun wanita mempunyai kesempatan yang sama untuk memperoleh sesuatu hak atas tanah serta untuk mendapat manfaat dan hasilnya, baik bagi diri sendiri maupun keluarganya. Hukum Islam sudah menentukan dalam Al-Qur’an Surat Annisa 11 bahwa bagian ahli waris laki-laki adalah dua kali bagian ahli waris perempuan. Hukum Adat Sasak menganut sistim kekerabatan Patrilineal sehingga anak laki-laki saja yang berhak mewarisi tanah. Akan tetapi perkembangan sekarang sudah menerapkan sistim kekerabatan Parental, yaitu anak laki-laki dan perempuan mempunyai hak yang sama untuk memperoleh hak waris atas tanah.

This research is located at Wundulako District, Kolaka Regency, Southeast Sulawesi Province. The purpose of this study are to determine the level of tectonic activity and the effect of tectonic activity on the land movement of the study area. Based on the DEM (Digital Elevation Model) analysis, geomorphology of the study area is dominated by mountains unit that indicate the influence of tectonic activity. Geomorphological aspects were analyzed to determine the tectonic classes in the study area such as watershed and non-watershed analysis. The results showed that, tectonic class of the study area is classified as very high and moderate tectonic class. The effect of tectonic class level on land movement in the study area shows a least correlation. This interprets that the cause of land movement at study area is not only influenced by tectonic factors but is also influenced by other factors such as rainfall, lithological conditions, geomorphology, earthquakes, and human activities. This shows that morphotectonic control has little effect on the land movements at Wundulako District, Kolaka Regency, Southeast Sulawesi Province, but is also influenced by other factors such as rainfall, lithological conditions, geomorphology, earthquakes, and human activities.

Ruslin Ruslin,1 Yamin Yamin,1 Henny Kasmawati,1 Samuel Mangrura,2 Laode Kadidae,2 Armid Alroem,2 Muhammad Arba1 1Faculty of Pharmacy, Universitas Halu Oleo, Kendari, 93232, Indonesia; 2Department of Chemistry, Faculty of Mathematics and Natural; Sciences, Universitas Halu Oleo, Kendari, 93232, IndonesiaCorrespondence: Ruslin Ruslin, Email mahaleo241@yahoo.co.idPurpose: Cyclooxygenase (COX-2) has been validated as a molecular target for treating inflammatory diseases. The present work was performed to identify potential COX-2 inhibitors by employing pharmacophore modeling.Methods: The pharmacophore features consisted of seven features, ie, three hydrophobic, one negative ion, and three hydrogen bond acceptors, which were developed based on the structure of COX-2 inhibitor, (R)-naproxen.Results: The pharmacophore model was validated with a Goodness of Hit (GH score) of 0.754 and the values of AUC100% 0.51. Screening against the ZINC database retrieved 1675 hits, while the molecular docking procedure identified four best hit molecules in term of binding orientation and binding energies, ie, Lig_1805/ZINC103584272 (E = − 11.03 kcal/mol), Lig_553/ZINC408573132 (E = − 10.92 kcal/mol), Lig_680/ZINC103584263 (E = − 10.90 kcal/mol), and Lig_2006/ZINC19324645 (E = − 10.62 kcal/mol).Conclusion: The interactions of the four hits occurred in the binding site as (R)-naproxen did, and interestingly, their binding affinities were stronger than (R)-naproxen, implying their potential as COX-2 inhibitors.Keywords: COX-2 inhibitor, inflammation disease, molecular docking, pharmacophore modeling, ZINC database

The binding of the active form of Remdesivir (RTP) to RNA-dependent RNA Polymerase (RdRp) of SARS-CoV-2 was studied using molecular dynamics simulation. The RTP maintained the interactions observed in the experimental cryo-EM structure. Next, we designed new analogues of RTP, which not only binds to the RNA primer strand in a similar pose as that of RTP, but also binds more strongly than RTP does as predicted by MM-PBSA binding energy. This suggest that these analogues might be able to covalently link to the primer strand as RTP, but their 3' modification would terminate the primer strand growth.

The peptide deformylase protein (PDF) has emerged as a promising target for the discovery of novel antibiotics with a novel mechanism of action. The current investigation was aimed at identifying potential inhibitor of PDF by using structure-based pharmacophore modelling. The pharmacophore hypothesis consisted of one hydrophobic, one negative ionizable, and one hydrogen bond donor features which were built using the structure of cognate ligand of PDF (BB2). Further, the pharmacophore model was validated and used to screen hit molecule against Indonesian Medicinal Plant Database and retrieved 32 hit molecules. All hit molecules were docked to PDF and four best molecules were subjected for 50-ns molecular dynamics (MD) simulation. MD simulation confirmed the docked poses of ligand as indicated by the RMSD and RMSF values. Prediction of affinities employing Molecular Mechanics Poisson-Boltzmann Surface Area (MM-PBSA) method revealed that quercetin 3-(6''-malonylneohesperidoside) had a comparable affinity with that of BB2, which indicated its potential as a novel herbal-based PDF inhibitor.

The number of problems in learning activities such as the personality and behavior of students who are less good towards the teacher and there is still many students who are confused in their personality in deciding to continue their studies with a department in accordance with their education or personality. So the author aims to create one expert system that can help counseling and student teachers in determining personality and good behavior for students who are not good or to determine in continuing college studies with one of the knowledge that can help humans in making decisions, namely expert systems. Expert system (Expert System) is a part of artificial intelligence that contains knowledge and experience that is input into the knowledge base. In designing this expert system, the author uses a forward chaining technique because problem-solving is done by collecting data and then drawing a conclusion. The results of this expert system are able to help psychology or Counseling Guidance teachers in analyzing student behavior to improve quality human resources by testing the diagnosis of student behavior and personality with expert system applications to produce solutions that meet their needs with a percentage above 90%.

Heat shock proteins-90 (HSP-90) is a protein that plays an important role in the life cycle of normal and cancer cells for their self protection from thermal stress, oxidative damage, and cell hypoxia. Inhibition of HSP90 is one way to suppress the growth of cancer cells. In this study, pharmacophore modeling and molecular docking were conducted to identify hit compounds as inhibitors of HSP-90. The pharmacophore feature consists of three hydrogen bond acceptors, one hydrogen bond donor and one hydrophobic feature with Area Under Curve of Receiver Operating Characteristics (AUCROC) is 0.5 and the Goodness of Hit (GH) value is 0.752. Screening in the ZINC database generated 1,500 hit compounds, were subjected to molecular docking to determine their binding energy and interactions with HSP-90. The range of binding energy (E) of all hit compounds is -5.68 to -12.24 kcal/mol and there are four best hit compounds namely lig_543, lig_527, lig_1337 and lig_337, when compared to native ligands (PU2, E=-8.25 kkal/mol) based on the binding energy and orientation, which indicate their potential as new HSP-90 inhibitors.

Latar Belakang : Kelor dikenal sebagai The Miracle Tree atau pohon ajaib. Hal ini didukung dengan fakta bahwa kelor terbukti secara ilmiah merupakan sumber gizi berkhasiat obat(Tutik et al., 2018). M. oleifera sudah banyak digunakan sebagai sumber makanan dan telah digunakan sebagai obat selama berabad-abad lamanya, diantaranya penyakit kulit, infeksi pernapasan, infeksi telinga dan gigi, hipertensi, diabetes, kanker, antiinflamasi, antioksidan, hiperglikemia dan makanan suplemen. Tujuan : untuk menentukan nilai toksisitas kulit batang kelor (Moringa oleifera) dengan menggunakan metode Brine Shrimp Lethaly Test (BSLT). Metode : Serbuk kulit batang kelor diekstraksi dengan cara maserasi. Fraksi diperoleh dengan metode cair-cair. Sifat toksik diuji dengan menggunakan metode Brine Shrimp Lethaly Test (BSLT). Kadar fenolik dikur dengan menggunakan metode reagen Folin-Ciocalteau. Kadar flavonoid dianalisis dengan metode kolorimeter Aluminium klorida. Hasil : Ekstrak metanol menunjukkan nilai toksik yang kuat dibandingkan dengan fraksi n-heksan dan air dengan nilai toksisitas sebesar 153,394 ppm. Kadar fenolik dan flavonoid yang tertinggi terdapat pada ekstrak metanol dengan kadar sebesar 509,91 g EAG/100 g sampel untuk fenolik dan 536,11 gEK/100 g sampel untuk flavonoid. Kesimpulan : Kulit batang kelor memiliki sifat toksik dengan ekstrak metanol paling toksik, sehingga bias ditelusuri lebih lanjut untuk mengetahui senyawa yang paling bersifat toksik

Heat shock proteins-90 (HSP-90) is a protein that plays an important role in the life cycle of normal and cancer cells for their self protection from thermal stress, oxidative damage, and cell hypoxia. Inhibition of HSP90 is one way to suppress the growth of cancer cells. In this study, pharmacophore modeling and molecular docking were conducted to identify hit compounds as inhibitors of HSP-90. The pharmacophore feature consists of three hydrogen bond acceptors, one hydrogen bond donor and one hydrophobic feature with Area Under Curve of Receiver Operating Characteristics (AUC-ROC) is 0.5 and the Goodness of Hit (GH) value is 0.752. Screening in the ZINC database generated 1,500 hit compounds, were subjected to molecular docking to determine their binding energy and interactions with HSP-90. The range of binding energy (E) of all hit compounds is -5.68 to -12.24 kcal/mol and there are four best hit compounds namely lig_543, lig_527, lig_1337 and lig_337, when compared to native ligands (PU2, E=-8.25 kkal/mol) based on the binding energy and orientation, which indicate their potential as new HSP-90 inhibitors.

To develop novel and more potent quinazoline–phosphoramidate mustard conjugates as EGFR inhibitor, 3D-QSAR (comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) combined with molecular docking were performed. A series of 13 compounds in the training set gave q2 values of 0.577 and 0.537, as well as r2 values of 0.926 and 0.921 for CoMFA and CoMSIA models, respectively. The contour maps that were produced by the CoMFA and CoMSIA models revealed that steric, electrostatic, and hydrophobic fields were crucial in the inhibitory activity of quinazoline–phosphoramidate derivatives. Based on the CoMFA and CoMSIA models, several novel EGFR inhibitors were designed, which established crucial interactions at the ligand binding domain of EGFR. 100 ns MD simulation indicated the stability of the designed compounds at 100 ns, while MM-PBSA calculation showed that the designed compound had higher affinity than that of parent compound.

Toksisitas akut merupakan kemampuan suatu bahan kimia (obat/bahan obat) dalam menimbulkan kerusakan pada suatu organisme dalam waktu yang relatif singkat. Tujuan penelitian ini adalah untuk mengetahui potensi ketoksikan akut dari ekstrak metanol, fraksi etil asetat dan fraksi air kulit batang ketapang laut (Terminalia catappa L.). Pengujian toksisitas akut dilakukan dengan menggunakan metode BSLT (Brine Shrimp Lethality Test) dan menggunakan analisis program untuk mengetahui nilai LC50 dari ekstrak dan fraksi. Hasil uji toksisitas akut menunjukan nilai LC50 dari ekstrak metanol, fraksi etil asetat dan fraksi air kulit batang ketapang laut (Terminalia catappa L. ) berturut-turut 247,997 ppm; 400,666 ppm dan 618,046 ppm. Hal ini menunjukan bahwa ekstrak metanol batang ketapang laut (Terminalia catappa L.) bersifat paling toksik dibandingkan fraksi etil asetat dan fraksi air.Kata kunci: Ekstrak, Fraksi, Terminalia catappa L., BSLT, Artemia salina LeachAbstractAcute toxicity is the ability of chemical (drug/drug ingredient) to cause damage to organisms in a relatively short time. The purpose of this study was to determine the potential for acute toxicity of methanol extract, ethyl acetate and water fractions of sea ketapang stem skin (Terminalia catappa L.). Acute toxicity testing was performed using the BSLT (Brine Shrimp Lethality Test) method and program analysis to determine the LC50 values of extracts and fractions. The results of the acute toxicity test showed the LC50 values of methanol extract, ethyl acetate and water fractions of the plant stem skin consecutively were 247,997 ppm; 400,666 ppm and 618,046 ppm. This shows that the methanol extract of sea ketapang stems (Terminalia catappa L.) is the most toxic compared to the ethyl acetate and the water fraction.Keywords: Extract, Fraction, Terminalia catappa L., BSLT, Artemia salina Leach

Heat shock protein 90 (Hsp90) is responsible for the correct folding of many cellular proteins. Several Hsp90 inhibitors have been developed for cancer treatment. The present in silico study aimed to evaluate the potential of several porphyrin derivatives conjugated with anthraquinone groups as Hsp90 inhibitors by using simulation of molecular docking and molecular dynamics. The binding mode of porphyrin hybrids to Hsp90, which was examined by using AutoDock 4.2, showed that all six porphyrin compounds fit well in the binding pocket of Hsp90. The pi-cationic interactions with Lys58 were exclusively observed in the interaction of each porphyrin hybrid. Stabilities of porphyrin-Hsp90 complexes were confirmed by 40-ns MD simulation, which was carried out with the help of AMBER16. Prediction of ligand affinity by using the MM-PBSA method showed that all complexes were energetically favorable as indicated by a negative binding free energy. The predicted affinities of tris−H 2 PyP−AQ, tris−H 2 PzP−AQ, bis−H 2 PzP−AQ, and mono−H 2 PzP−AQ are better than those of geldanamycin, a known inhibitor of Hsp90, which shows the importance of the electrostatic and van der Waals energies for ligand binding.