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CoMFA, Molecular Docking and Molecular Dynamics Studies on Cycloguanil Analogues as Potent Antimalarial Agents Isman Kurniawan; Muhammad Salman Fareza; Ponco Iswanto
Indonesian Journal of Chemistry Vol 21, No 1 (2021)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.52388

Abstract

Malaria is a disease that commonly infects humans in many tropical areas. This disease becomes a serious problem because of the high resistance of Plasmodium parasite against the well-established antimalarial agents, such as Artemisinin. Hence, new potent compounds are urgently needed to resolve this resistance problem. In the present study, we investigated cycloguanil analogues as a potent antimalarial agent by utilizing several studies, i.e., comparative of molecular field analysis (CoMFA), molecular docking and molecular dynamics (MD) simulation. A CoMFA model with five partial least square regressions (PLSR) was developed to predict the pIC50 value of the compound by utilizing a data set of 42 cycloguanil analogues. From statistical analysis, we obtained the r2 values of the training and test sets that were 0.85 and 0.70, respectively, while q2 of the leave-one-out cross-validation was 0.77. The contour maps of the CoMFA model were also interpreted to analyze the structural requirement regarding electrostatic and steric factors. The most active compound (c33) and least active compound (c8) were picked for molecular docking and MD analysis. From the docking analysis, we found that the attached substituent on the backbone structure of cycloguanil gives a significant contribution to antimalarial activity. The results of the MD simulation confirm the stability of the binding pose obtained from the docking simulations.
Phytochemical Screening and Antibacterial Activity of Ethanolic Extract of Syzygium samarangense Leaves Nur Amalia Choironi; Muhamad Salman Fareza
Jurnal Kartika Kimia Vol 1 No 1 (2018): Jurnal Kartika Kimia
Publisher : Department of Chemistry, Faculty of Sciences and Informatics, Jenderal Achmad Yani University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (171.629 KB) | DOI: 10.26874/jkk.v1i1.2

Abstract

The ethanolic extracts of S. samarangense leaves were examined for antibacterial activity in vitro using broth microdillution method. The extracts showed effective against Bacillus cereus, Salmonella enterica with MIC (minimum inhibition concentration) value 78 µg/ml and against multi strains of Escherichia coli, Enterobacter aerogenes, Kocuria rhizophila with MIC value 2500 µg/mL, 2500 µg/mL and 156 µg/mL. Phytochemical screening of S. samarangense was observed for the presence of tannins, alkaloids, flavonoids, and terpenoids.
ISOLASI DAN IDENTIFIKASI SENYAWA AKTIF DARI DAUN JAMBU MAWAR (SYZYGIUM JAMBOS (L.) Alston) Soenarto Soetomo; Eviyana Eviyana; Nur Amalia Choironi; Nilta Dizzania; Muhamad Salman Fareza; Ade Martinus
Jurnal Sains dan Terapan Kimia Vol 13, No 2 (2019)
Publisher : Program Studi Kimia, Universitas Lambung Mangkurat

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (635.079 KB) | DOI: 10.20527/jstk.v13i2.5884

Abstract

Syzygium jambos (jambu mawar) merupakan salah satu tumbuhan tropis khas Indonesia. Tumbuhan ini secara empiris telah digunakan sebagai tumbuhan obat tradisional. Kajian fitokimia tumbuhan ini yang berasal dari Indonesia masih terbatas.Tujuan penelitian ini adalah mengisolasi dan mengidentifikasi senyawa fenolik dari bagian daun S. jambos asal Purwokerto. Proses ektraksi daun S. jambos dilakukan dengan menggunakan metode maserasi. Fraksinasi dan pemurnian ektrak menggunakan metode kromatografi vakum cair dan kromatografi gravitasi. Identifikasi isolat dilakukan menggunakan metode spektroskopi 1H-NMR dan 13C-NMR. Berdasarkan hasil isolasi yang dilakukan telah diperoleh satu senyawa fenolik yaitu asam anakardat dengan rantai samping alkil diena.
Phytochemical screening and purification of n-hexane fraction of Calophyllum soulattri leaves Sunarto Sunarto; Agnes Yuliasari; Sri Sutji Susilowati; Hendri Wasito; Triyadi Hendra Wijaya; Muhamad Salman Fareza
Acta Pharmaciae Indonesia : Acta Pharm Indo Vol 10 No 2 (2022): Acta Pharmaciae Indonesia : Acta Pharm Indo (in progress)
Publisher : Pharmacy Department, Faculty of Health Sciences, Jenderal Soedirman University, Purwokerto, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20884/1.api.2022.10.2.5858

Abstract

Background: Calophyllum soulattri Burm F. is widely utilized in traditional medicine. It is necessary to identify secondary metabolites from C. soulattri leaves to determine the pharmacologically active chemicals. Objective: This study aimed to screen the phytochemical content and purify the n-hexane fraction of C. soulattri leaves from Banyumas, Indonesia. Methods: The n-hexane fraction was macerated with methanol, followed by liquid-liquid fractionation with n-hexane. The n-hexane fraction was tested for flavonoids, triterpenoids/steroids, saponins, and phenols using the test tube method. In addition, the compounds were purified using column chromatography. The purified compound was identified by the Liebermann-Burchard reagent, which was compared with commercially available steroid drugs as reference. Results: Phytochemical analysis revealed that the n-hexane fraction of C. soulattri leaves contained secondary metabolites such as flavonoid, steroid, and phenol compounds. Analyses with the Liebermann-Burchard reagent indicated that the purified compound was potentially a steroid. Conclusion: The compound extracted from the n-hexane fraction of C. soulattri leaves was expected as a steroid.
Peningkatan Pengetahuan dan Sikap Masyarakat terhadap Upaya Pencegahan dan Pengendalian Covid-19 di Desa Kejawar Banyumas Hening Pratiwi; Beti Pudyastuti; Warsinah; Nia Kurnia Sholihat; Triyadi Hendra; Nur Amalia Choironi; M. Salman Fareza
KOLABORASI JURNAL PENGABDIAN MASYARAKAT Vol 2 No 5 (2022): Kolaborasi: Jurnal Pengabdian Masyarakat
Publisher : Yayasan Inspirasi El Burhani

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (696.476 KB) | DOI: 10.56359/kolaborasi.v2i5.125

Abstract

Introduction: Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) better known as Covid-19 is a new type of coronavirus that transmitted to humans. This virus is contagious quickly and has spread to almost all countries, including Indonesia, in just a few months. Public awareness and behavior are needed to prevent and control COVID-19. Objective: This activity aimed to increase public knowledge and attitudes to actively participate in preventing and controlling the transmission of Covid 19. Method: The implementation of this activity begins with the process of evaluating the level of knowledge and attitudes of PKK cadres regarding the prevention and control of Covid-19 by conducting a pre-test using a questionnaire. Then, the team provided education about the prevention and control of Covid-19 by using appropriate media. This activity was carried out using the transfer & sharing method of knowledge by using aids of audiovisual media and leaflets. Besides being open for discussion sessions, questions, and answers related to Covid-19. Result: The results showed an increase in respondents' knowledge before and after education by as much as 47%, while the attitudes of respondents showed an increase before and after education by as much as 47%. Conclusion: We concluded that providing education related to Covid 19 could increase people's knowledge and attitudes.
Optimasi Formula Self-Nanoemulsifying Drug Delivery System (SNEDDS) Etil-p-metoksisinamat (EPMS) Nur Amalia Choironi; Beti Pudyastuti; Giri Gumelar; Muhamad Salman Fareza; Triyadi Hendra Wijaya; Joko Setyono
ALCHEMY Jurnal Penelitian Kimia Vol 18, No 2 (2022): September
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.18.2.56847.205-213

Abstract

Penelitian ini bertujuan untuk menentukan formula Self-Nanoemulsifying Drug Delivery System (SNEDDS) menggunakan zat aktif etil-p-metoksisinamat (EPMS). Formula SNEDDS terdiri dari cremophor RH 40 sebagai surfaktan, propilen glikol sebagai ko-surfaktan, Virgin Coconut Oil (VCO) sebagai fase minyak dan EPMS sebagai zat aktif. Penentuan perbandingan surfaktan dan ko-surfaktan menggunakan metode Simplex Lattice Design (SLD) dengan software Design-Expert versi 13.0. Formula optimum SNEDDS EPMS memiliki komposisi EPMS 100 mg/mL, cremophor RH 40 53,6%, propilen glikol 26,4% dan VCO 20% sesuai dengan rekomendasi dari SLD menghasilkan SNEDDS dengan transmitan 95,43%, waktu emulsifikasi dalam aquadest 8,33 menit, ukuran partikel 30,16 nm, zeta potensial -61,03 mV dan indeks polidispersitas 0,160. Penelitian ini menunjukkan bahwa dengan formula SNEDDS 53,6% cremophor RH 40; 26,4% propilen glikol dan EPMS dapat meningkatkan nilai transmitan dan waktu emulsifikasi.Formula Optimization of the Self-Nanoemulsifying Drug Delivery System (SNEDDS) of Ethyl-p-methoxycinnamate (EPMC). This research aimed to optimize the Self-Nanoemulsifying Drug Delivery System (SNEDDS) formula of the ethyl-p-methoxycinnamate (EPMS). The SNEDDS formula was prepared using cremophor RH 40 as a surfactant, propylene glycol as a co-surfactant, VCO as an oil phase, and EPMS as an active ingredient. Proportion surfactant and co-surfactant were determined using the simplex lattice design (SLD) method using the Design-Expert software version 13.0. The optimum formula of EPMC SNEDDS are EPMC cremophor RH 40, propylene glycol, VCO and EPMS was 100 mg/ml, 53.6%, 26.4%, and 20% based on SLD data. The formulation was a transmittance of 95.43%, an emulsification time of 8.33 minutes, a particle size of 30.16 nm, a zeta potential of -61.03 mV, and polydispersity index of 0.160. The result showed that the proportion of cremophor RH 40; 26,4% propylene glycol, and EPMC were able to increase the value of transmittance and emulsification time.
THE EFFECT OF CIPLUKAN EXTRACT (Physalis angulata L.) TO THE NUMBER OF FIBROBLASTS IN IMIQUIMOD INDUCES PSORIASIS MICE MODEL Irse Priyaganda Bani Musa; Thianti Sylviningrum; Dody Novrial; Muhamad Salman Fareza
Mandala Of Health Vol 14 No 1 (2021): Mandala Of Health
Publisher : Fakultas Kedokteran Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (441.126 KB) | DOI: 10.20884/1.mandala.2021.14.1.4763

Abstract

Imiquimod induces activation of Th17 cells and dendritic cells that play a role in psoriasis. Ciplukan extract ( Physalis angulata L.) contains steroid compounds, flavonoids, alkaloids, and saponins such as Physalin B, Physalin F, Physalin G which have anti-inflammatory activity in psoriasis pathophysiology. This research is an experimental research with post test only with control group design. Thirty five female mice were divided into 7 groups. Group A: negative control, group B: positive control, group C induced by imiquimod and given with ciplukan extract 400 mg/kg BW for 7 days, group D induced by imiquimod and given with ciplukan extract 800 mg/kg BW for 7 days, group E induced imiquimod and given with ciplukan extract 1,200 mg/kg BW for 7 days, group F induced by imiquimod and given with methotrexate 1 mg/kg BW for 7 days, and group G induced by imiquimod and given with a combination of ciplukan extract 1,200 mg/kgBW and methotrexate 1mg/kgBW for 7 days. 7 days. The number of fibroblast cells was counted on the fifteenth day by taken a sample of mouse skin and made histological preparations and then counted manually used a microscope. The mean number of fibroblast cells in groups A, B, C, D, E, F, and G were 21.6±2.3, respectively; 39.2±5.5; 30.6±1.3; 24.0±2.8; 24.8±2.9; 28,4±3,0;28,2±3,2 . The results of the test One Way ANOVA showed a value of p = 0.000 (p < 0.05), so that the results are significant. Keywords: ciplukan extract, fibroblast, methotrexate , Physalis angulata
THE EFFECT OF CIPLUKAN EXTRACT (Physalis angulata L.) AS ANTIPSORIATIC AND TO LYMPHOCYTES COUNT OF SKIN TISSUE IN PSORIASIS MICE MODEL Putri Nur'afni Sa'adah; Thianti Sylviningrum; Dody Novrial; Fajar Wahyu Pribadi; Wahyu Dwi Kusdaryanto; Muhamad Salman Fareza
Mandala Of Health Vol 14 No 1 (2021): Mandala Of Health
Publisher : Fakultas Kedokteran Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (538.872 KB) | DOI: 10.20884/1.mandala.2021.14.1.4958

Abstract

ABSTRACT Psoriasis is a chronic skin disease in form of papule-shaped lesion and erythematous plaques with thick white scales. The pathogenesis of psoriasis involves IL-23/Th-17 cytokine pathway that contributes the activation of T-lymphocytes and proinflammatory cytokines. Treatment of psoriasis using methotrexate has inhibitory effect of the synthesis of nucleic acid towards T-lymphocytes and keratinocytes. Ciplukan (Physalis angulata L.) has anti-inflammatory potential effect which contains steroid, flavonoid, alkaloid, and physalin that may inhibit lymphocyte activation and proinflammatory cytokine production. The study is used the method of experimental study with post test only with control group design. Thirty five female mices were divided into 7 groups. The parameters of this study is anti-psoriatic (PASI and Baker’s score) and lymphocytes count in psoriasis mice model. The results of Kruskal-Wallis, PASI and Baker’s score showed that p=0,001 (p<0,05) and the result of lymphocytes count using One Way ANOVA showed that p=0,001 (p<0,05). The 800 mg/kgBW dose of ciplukan extract showed the largest decrease on PASI score and lymphocytes count, and the 1200 mg/kgBW dose one showed the largest decrease on the Baker’s score. The present of the 800 mg/kgBW dose of ciplukan extract gives the most optimal effect in reducing PASI score and skin tissue lymphocytes count in psoriasis mice model that were not significantly different with the treatment control group, while 1200 mg/kgBW dose one gives the most optimal effect in reducing Baker’s score that were significantly different with the treatment control group. Keywords: Ciplukan extract, lymphocytes, methotrexate, Physalis angulata L
Perbandingan Kandungan Senyawa Kimia dan Aktivitas Antibakteri terhadap MRSA (Methicillin-resistant Staphylococcus aureus) Beberapa Minyak Atsiri Daun Salam (Syzygium polyanthum) Muhammad Salman Fareza; Esti Dyah Utami; Elesenda May GIta; Vintya Roosalinda Permatasari; Tryandika Telaumbanua; Nur Amalia Choironi
ALCHEMY Jurnal Penelitian Kimia Vol 15, No 2 (2019): September
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (891.555 KB) | DOI: 10.20961/alchemy.15.2.25736.302-314

Abstract

Daun Syzygium polyanthum secara tradisional telah digunakan untuk mengobati penyakit yang disebabkan oleh bakteri. Kandungan kimia dari minyak atsri dari suatu tanaman dipengaruhi oleh daerah asal tumbuhnya. Tujuan penelitian ini untuk mengetahui komponen minyak atsiri daun S. polyanthum dari Bekasi, Lembang, Purwokerto Baturaden dan Curup, serta aktivitas antibakterinya terhadap MRSA Minyak atsiri daun S. polyanthum diperoleh dengan metode destilasi uap. Kandungan komponen senyawa pada minyak atsiri dianalisis menggunakan GC-MS. Sifat antibakteri minyak atisri dievaluasi menggunakan metode difusi cakram pada rentang konsentrasi 12  ̶  100 ppm. Rendemen minyak atsiri daun S. polyanthum yang diperoleh dari Bekasi, Lembang, Purwokerto Baturaden dan Curup berturut-turut sebesar 0,03%; 0,06%; 0,072%; 0,120% dan 0,067%. Hasil analisis GC-MS komponen minyak atsiri daun S. polyanthum dari berbagai daerah tersebut memperlihatkan senyawa aldehid dan terpenoid sebagai komponen utama. Minyak atsiri daun S. polyanthum dari Bekasi, Purwokerto, Baturaden dan Curup dapat memberikan daya hambat terhadap MRSA sebesar 9,2  ̶  15,3 mm, sedangkan minyak atsiri dari Lembang tidak memberikan daya hambat. Minyak atsiri daun S. polyanthum daerah Baturaden memiliki aktivitas menghambat pertumbuhan bakteri MRSA lebih baik dibandingkan daerah lainnya yaitu 15,3 mm pada konsentrasi 100 ppm dengan kategori intermediet. Penelitian mengenai perbandingan komponen kimia dan sifat antibakteri MRSA minyak atsiri daun S. polyanthum dari berbagai daerah ini baru pertama kali dilaporkan.
Bioinformatic Study of the Active Compound of Morusin in Mulberry (Morus alba) against Breast Cancer Sarmoko Sarmoko; Afif Hariawan Pratama; Nur Amalia Choironi; Muhammad Salman Fareza
Indonesian Journal of Cancer Chemoprevention Vol 14, No 1 (2023)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev14iss1pp60-71

Abstract

Morusin, an active constituent of the mulberry plant (Morus alba), exhibits inhibitory effects on several types of cancer cells in vitro, including breast cancer. This study aimed to identify potential target proteins of morusin, investigate the binding energy, and explore type of interactions between morusin and the target protein. Morusin target was searched using the PubMed, STITCH, STRING, and Cytoscape databases. Subsequently, the obtained morusin target protein data underwent processing using Autodock Tools and DS BIOVIA to facilate the simulation of molecular docking between morusin and the target protein. The study identified EGFR, SRC, and MAPK1 as potential targets for morusin. Docking simulations revealed that both EGFR and SRC represent viable targets for morusin, as their binding energies were lower than those of the native ligand and lapatinib. Specifically, the bond energies at EGFR were -9.6, -7.5, and -9.2 kcal/mol for morusin, the native ligand, and lapatinib, respectively. Similarly, at SRC, the corresponding bond energies were -8.2, -6.4, and -5.3 kcal/mol. Morusin demonstrated binding interactions with Leu694, Val702, Leu820, Ala719, Leu768, and Lys721 at the active site of EGFR, and with Lys295 and Gly344 at the binding active sites of SRC. Consequently, morusin has the potential to suppress cancer cell growth by targeting EGFR and SRC.Keywords: cancer cells, EGFR and SRC as targets, molecular docking, morusin, mulberry plant.
Co-Authors . Harwoko Ade Martinus Ade Martinus Afif Hariawan Pratama Agnes Yuliasari Anggraeni, Vina Juliana Aprilia, Vika Ari Asnani Ari Wahyudi Asrada, Syahdan Ayunda Tasya Hapsari Beti Pudyastuti Beti Pudyastuti Choironi, Nur Amalia Defi Srium Siagian Didin Mujahidin Dina Parika Dody Novrial Dody Novrial, Dody Dwi Utami Anjarwati Elesenda May GIta Esti Dyah Utami Esti Dyah Utami Eviyana Eviyana Fadlan, Arif Fadlan, Arif Fajar Wahyu Pribadi Febrian, Dicky Rizky Fischellya, Dafi Giri Gumelar Hanif Nasiatul Baroroh Harwoko Harwoko Hasan, Nahrul HENDRI WASITO Hendri Wasito Hening Pratiwi Irse Priyaganda Bani Musa Joko Setyono Joko Setyono Joko Setyono Kaefiyah Nurul Insani Lela Lailatul Khumaisah Mustikaningtyas, Ika Nadia Sayyidadah Aulia Nia Kurnia Sholihat Nilta Dizzania Nur Amalia Choironi Nur Amalia Choironi Nur Amalia Choironi Nuryanti Nuryanti Ponco Iswanto Putri Khaerani Cahyaningrum Putri Nur'afni Sa'adah Rehana Rehana Rehana Rehana Rehana, Rehana Ridha, Kirana Shafa Rifki Febriansah Rizka Hidayati Rizki Akbar Ramadhan Samudra, Genta Hafied Naga Sarmoko Sarmoko Sekar Cahyo Nurani Setiyabudi, Lulu Siagian, Defi Srium Siska Febdian Nitami Soenarto Soetomo Sri Sutji Susilowati Sri Sutji Susilowati Sunarto Sunarto Sunarto Sunarto Sunarto Sunarto Sunarto Sunarto Sunarto Sunarto Sunarto, Sunarto Thianti Sylviningrum Triyadi Hendra Triyadi Hendra Wijaya Triyadi Hendra Wijaya Tryandika Telaumbanua Tuti Sri Suhesti Vintya Roosalinda Permatasari Wahyu Dwi Kusdaryanto Warsinah Yuliasari, Agnes