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Journal : Indonesian Journal of Pharmaceutical Science and Technology

Molecular Docking Studies of Compounds from Brucea javanica (L.) Merr. Towards The Discovery of Potential H5N1 Neuraminidase Inhibitors Rina Fajri Nuwarda; Zelika Mega Ramadhania; Imam Adi Wicaksono; Muhammad Yusuf; Ade Rizqi Ridwan Firdaus; Muchtaridi Muchtaridi
Indonesian Journal of Pharmaceutical Science and Technology Vol 7, No 1 (2020)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v7i1.25643

Abstract

The occurrences of a highly pathogenic avian influenza virus (HPAI) type A H5N1 has caused infections in millions of poultry as well as hundreds of human cases and even mortalities. Indonesia has become one of the world’s highest casualty rates of H5N1 human infections, with the number of deaths was 167 from a total of 199 cases. The development of viral resistance towards the available anti-influenza drugs neuraminidase (NA) inhibitors required the discovery of new inhibitors. In the recent advance of drug discovery, natural products have been considered as one of the essential sources of medicinal agents, and Brucea javanica has been found to possess antiviral activity against H5N1 NA. Thus, this research aimed to investigate the in silico activities of compounds from B. javanica using molecular docking methods against H5N1 NA. In this study, docking-based virtual screening of compounds from B. javanica to quickly select in silico hits to be potential NA inhibitors was performed. Subsequently, the intermolecular interactions of the inhibitor compounds with the H5N1 NA were analysed to examine the most preferred interactions. The results showed that brucein G and bruceoside C were found having the lowest binding energy and most preferred interactions with H5N1 NA and therefore, can be proposed for further study as potential NA inhibitors.Keyword: antiviral, Brucea javanica, H5N1, molecular docking, neuraminidase
Binding Mode, Absorption, And Distribution Profile, Mutagenicity and Carcinogenicity of Asam Gelugur (Garcinia atroviridis Griff.) Fruit Phytoconstituents as Influenza H7N9 Neuraminidase Inhibitor Mohamad Taufik Ismullah; Sri Adi Sumiwi; Tiana Milanda; Muchtaridi Muchtaridi
Indonesian Journal of Pharmaceutical Science and Technology Suppl. 2, No. 2 (2019)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (613.267 KB) | DOI: 10.24198/ijpst.v1i2.21485

Abstract

The purpose of this study was to predict the bond mode, absorption and distribution profile as well as the mutagenicity and carcinogenicity of the asam gelugur fruit compounds which have the best inhibitory activity in neuraminidase influenza subtype H7N9 active pocket by in silico. Pharmacophore modeling and molecular docking using Ligandscout software. Absorption and distribution profiles using PreADMET software. Mutagenicity and carcinogenicity using Toxtree software. The results showed that 10 of the 13 compounds of asam gelugur fruit formed hydrogen bonds with important amino acid residues in the active sac neuraminidase H7N9. Organic acid group compounds have good absorption and distribution profiles. All acid gelugur fruit compounds are predicted not to be mutagenic and carcinogenic. Hydroxycitric acid is a compound that is predicted to have the best inhibition with the lowest Ki value of 1.09 µM. Hydroxycitric acid is a compound that is predicted to have the best inhibition with the lowest Ki value of 1.09 µM.Keywords: Neuraminidase Inhibitor, Influenza, H7N9, Hydroxycitric Acid
Antiproliferation Assay of Essential Oil of Curcuma Rhizoma (Curcuma xanthorrhiza Roxb.) Against P388 Leukemia Cell Ida Musfiroh; Angga Geganaputra; Ajeng Diantini; Yasmiwar Susilawati; Muchtaridi Muchtaridi
Indonesian Journal of Pharmaceutical Science and Technology Vol 7, No 3 (2020)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v7i3.27210

Abstract

Leukemia or blood cancer is a disease which marked by abnormal increasing of blood producer`s cells. Chemotherapies which used as anticancer have a many adverse effect and toxicity. The volatile oil of turmeric rhizome (Curcuma xanthorriza) contains sesquiterpene which has an pharmacological activity. The aimed of this research to assay the antiproliferation activity of volatile oil from curcuma rhizome to leukemia P388 cells using MTT (3-[4,5-dimethylthiazole-2-yl]-2,5-diphenyl tetrazolium bromide) method. The methods were contain of identification of volatile oil (produced from distillation water-steam) using organoleptic test and TLC, and activity test was using seven various concentrations, which were 0.1; 0.3; 1; 3; 10; 30; 100 µg/mL. The result showed that the sample can inhibit leukemia P388 cells with the value of IC50 was 15.5 µg/mL. The volatile oil of Curcuma rhizome has an antiproliferative activity to leukemia P388 cell.Keywords: Curcuma rhizome, MTT assay, leukemia cell P388, volatile oil
Modification of Extraction Methods on Determining Simeticone Suspension Using FTIR Method Ida Musfiroh; Aliya Nur Hasanah; Gia A. Faradiba; Ida Ayumiati; Mutakin Mutakin; Muchtaridi Muchtaridi
Indonesian Journal of Pharmaceutical Science and Technology Vol 6, No 3 (2019)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (408.555 KB) | DOI: 10.24198/ijpst.v6i3.22355

Abstract

Antacids dosage form are a class of drugs used to chemically bind and neutralize stomach acid. Simethicone is one of the antacids that works as an antiflatulant. In an effort to guarantee the quality of a preparation, a valid analysis method is needed that meets the validation parameters. This study aims to modified of extraction method of the simethicone content of suspension samples using the FTIR method. The methods include simethicone modification of extraction from suspension preparations with toluene solvents and hydrochloric acid (2:5) 3.35. Validation methods include: determination of precision, accuracy, limit of detection (LOD), and limit of quantification (LOQ) at wave number 1261 cm-1 and determination of the content of samples of simethicone suspension. The results showed that linearity parameters with a correlation coefficient of 0.997 in a concentration range of 1000-10,000 ppm, precision with a value of KV <2%, LOD and LOQ, respectively 378.97 and 1250.59 ppm. The results of the determination of simethicone suspension samples indicate that this method met the requirements of the validation parameters.Keywords: Validation, Simethicone, Infrared Spectrophotometry, antacid
Radiochemical Purity Test of Fractionated Sestamibi Kit Labelled with Technetium-99m Hasna Chaerunisa; N. Elly Rosilawati; Muchtaridi Muchtaridi
Indonesian Journal of Pharmaceutical Science and Technology Suppl. 4, No. 1 (2022)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v1i1.33332

Abstract

Coronary Heart Disease (CHD) is a heart disorder caused by blockage of blood vessels. CHD can bedetected by Myocardial Perfusion Imaging (MPI). MPI is performed by injecting a radiopharmaceuticalinto the patient's body. 99mTc-sestamibi is a radiopharmaceutical that is commonly used in MPI.Sestamibi is available in the form of a multidose vial, but the cost of the examination will be expensiveif it is only used for one patient. Cost effectiveness can be increased by fractionating the sestamibi kitbefore labelled by 99mTc. 99mTc-sestamibi needs to be tested for quality control before it is administeredto the patients. One of the tests is the radiochemical purity test. The aim of this study was to determinethe radiochemical purity of the fractionated sestamibi kit labelled by 50 mCi 99mTc. 2 vials of sestamibikit were fractionated by adding 5 mL of 0.9% NaCl solution to each vial and divided into 10 new vials.Radiochemical purity was measured using the thin layer chromatography (TLC) method. The resultsof this study indicated that all samples had radiochemical purity of 100% up to 6 hours after labelling.
Molecular Docking and Toxicity from Temulawak Rhizome (Curcuma xanthorrhiza Roxb.) against COX-2 Meilinda setya praceka; Ellen N. Yunita; Cleopatra D. Semesta; Refitha N. Putri; Nazwa N. Mikdar; Elsa N. Sitinjak; Luthfi U. Setyawati; Muchtaridi Muchtaridi
Indonesian Journal of Pharmaceutical Science and Technology Suppl. 4, No. 1 (2022)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v1i1.43808

Abstract

Temulawak rhizome (Curcuma xanthorrhiza Roxb.) is a rhizome that comes from the Zingiberaceaetribe. Temulawak rhizome is commonly used as a traditional medicine in Indonesia as an antiinflammatory.The purpose of this study was to provide information on the potential of temulawakrhizome as a COX-2 inhibitor drug candidate and its toxicity to shrimp larvae (Artemia salina Leach.).The methods used are Lipinski Rule of Five prediction, PreADMET, molecular docking, pharmacophorescreening, and BSLT toxicity test. The results obtained show that the lowest Gibbs energy is producedby curcumin (-9.65 kcal/mol), has a pharmacophore hit value, meets the Lipinski rule of five, predictsa good pharmacophore profile, but curcumin has mutagenic properties and is classified as toxic afterbeing tested. with the BSLT method. So that it can be concluded that curcumin has the potential tobecome an anti-inflammatory drug, but further studies are needed and modifications to the molecularstructure of the compound can be carried out so that the tested compound can produce better activity.
Studi In Silico dan In Vitro Senyawa Aktif pada Rimpang Kunyit (Curcuma domestica) sebagai Antiinflamasi pada Cyclooxygenase-2 (COX-2) Devani Olivia Winardi; Syahla Afaaf Alliyah; Shafa Nurul Fadilah; Jessyca Sirait; Hafidh Beta Arif Putra; Nurhanifah Puspitadewi; Neli Neli; Muchtaridi Muchtaridi; Ade Zuhrotun
Indonesian Journal of Pharmaceutical Science and Technology Suppl. 5, No. 1 (2023)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v0i0.47171

Abstract

Dismenore merupakan kondisi nyeri yang umum pada wanita pada saat sedang menstruasi. Pengobatan untuk dismenore umumnya menggunakan obat berupa obat antiinflamasi non steroid (NSAID).  Efek antiinflamasi ini juga dapat diperoleh dari bahan alami, seperti rimpang kunyit. Rimpang kunyit mengandung senyawa kurkuminoid yang telah dikonfirmasi dari berbagai studi memiliki berbagai khasiat bagi tubuh, diantaranya adalah sebagai antivirus, antibakteri, antioksidan, antikarsinogenik, dan antiinflamasi. Penelitian ini dilakukan untuk menguji keefektifan dan potensi sifat antiinflamasi pada senyawa-senyawa yang terkandung dalam kunyit yang dilakukan berdasarkan studi in silico dan in vitro dengan prediksi sifat fisikokimia dan sifat farmakokinetik berdasarkan sifat Lipinski dan ADME-T, penambatan molekul, pemodelan farmakofor, dan pengujian toksisitas menggunakan metode BSLT. Hasil yang diperoleh adalah senyawa-senyawa uji memenuhi Lipinski rules of five, beberapa senyawa hasil uji bersifat mutagen dan karsinogen. Senyawa dengan potensi antiinflamasi tinggi adalah dihidrokurkumin. Dari hasil BSLT, ditemukan bahwa ekstrak infus kunyit memiliki sifat toksik.
Co-Authors A. A. Putri A. Diantini - A. Khalilah A. L. Triadenda A. Mutalib - Abdul Mutalib Abdul Mutalib Abednego K. Gwiharto Abednego Kristande Abun Abun Abun Abun Abun Ade Rizqi Ridwan Firdaus Ade Zuhrotun Agus Rusdin Agus Rusdin AJENG DIANTINI Aliya Nur Hasanah Ami Tjiraresmi Anas Subarnas Andri Kusmayadi Angga Geganaputra Annisa Atusholihah Annisa Rafashafly Anton Apriyantono Arief Cahyanto Arif Budiman Arif Budiman Asep Nurrahman Yulianto Basuki Hidayat C. Suhandi Carla Florencia Cecep Suhandi Cecep Suhandi Cecep Suhandi Christine Christine CINDY APRILLIANIE WIJAYA Cindy Aprillianie Wijaya Cleopatra D. Semesta Desra Widdy Syafra Devani Olivia Winardi Dewi Permatasari Diah Lia Aulifa Diantini, A. - Dilal Adlin Fadil Dini Rochdiani Dolih Gozali - E. Laelasari E. Novianti Eli Halimah ELI HALIMAH Eli Halimah Ellen N. Yunita Elsa N. Sitinjak Elvan Kamal Ersa Fadhilah F. Ardiansyah Fadil, Dilal Adlin FATHIA NABILA AULANI Fathia Pebriani Ganendra Akbar Hadiyanto Gia A. Faradiba Hafidh Beta Arif Putra Harsoning Tyas Mardisanutol Hasna Chaerunisa Herlina Herlina I Made Jhoni I Made Joni I. R. Hartanti Ida Ayumiati Ida Musfiroh Ida Musfiroh Ida Musfiroh - Imam Adi Wicaksono Ivanna Fauziyah Kusnadi Iyan Sopyan Jessica Tristi Jessyca Sirait Jutti Levita Karyadi Karyadi Karyn Elizabeth Keiichi Motoyama Kevin Reinard Lie L. Pangestu Levita, J. - Lovita Adriani Luthfi Ihsan Sulaeman Luthfi U Setyawati Luthfi U. Setyawati Luthfi Utami Setyawati Luthfi Utami Setyawati Maitsa Alya Fakhirah Martalena Ramli MEGANTARA, SANDRA Meilinda setya praceka MELISSA MELISSA Mentari Luthfika Dewi Mohamad Taufik Ismullah Monica Richelle Herdady Muhammad Ariq Al Faruq Muhammad Fadhil Pratomo Muhammad Raihan Riyaldi Muhammad Syahid Abdillah Muhammad Yusuf Mulyana - - Musfiroh, I. - Mustarichie, R. - Mutakin Mutakin N. Elly Rosilawati N. N. Auliya AS Nabila Alivia Yasmin Nabilah Muhamad Nadia Ulil Fatiya Nadya Dwi Banowati NAELI FARHATY Nasrul Wathoni Nathannael Adrya Hadiwijaya Nazwa N. Mikdar Neli Neli Nia Yuniarsih Norisca A. Putriana Norisca Aliza Putri Norisca Aliza Putri Nurfianti Silvia Nurhanifah Puspitadewi Nursuhud NUZAHA BAQIYATUS SHOLIHAH AZIMAH Petra Pahlawanda Chrisanto Liawardi Randy Rassi Prayoga Ratu Hanifa Fayza Dipadharma Refitha N. Putri Richa Mardianingrum Rina Fajri Nuwarda Risda R Islamiyati Risda Rahmi Islamiaty Riska Febriyanti Ronny Lesmana S. Hidayat Salsa Sagitasa Salsabila Athaya Sandra Megantara SANDRA MEGANTARA Savira Silma Aulia Shafa Nurul Fadilah Siti Nunung Nurulaini Sitti Faza Karima Slamet Budijanto Sri Adi Sumiwi Sri Aguswarini Sri Gustini Husein St. Rohmani Nahariyah Stepanus Massora Sugianto Ayudha Hartono Suhendi, Cece Susyati Susyati Syahla Afaaf Alliyah Syahrul Hidayat T. N. Apriliya Taofik Rusdiana TIANA MILANDA TIARA SALSABILA MAJID Udin. L.Z - Ujang Hidayat Tanuwiria W. Oktavelia Wa Ode Ida Fitriah WARID ALI QOSIM Wiwit Nurhidayah Yasmiwar Susilawati Yulianto, Asep Nurrahman Yuni Nurjanah Zelika Mega Ramadhania