cover
Article Per Year (5 Year)
All
Home Page
OAI Link
Editorial Team
Contact
Reviewer
Google Scholar
Contact Name
Muchtaridi
Contact Email
ijpsteditor@gmail.com
Phone
-
Journal Mail Official
ijpsteditor@gmail.com
Editorial Address
-
Location
Kota bandung,
Jawa barat
INDONESIA
Indonesian Journal of Pharmaceutical Science and Technology
Published by Universitas Padjadjaran
ISSN : 23561971     EISSN : 2406856X     DOI : -
Core Subject : Health, Science,
Computer Science & IT Medicine & Pharmacology
Jurnal Sains dan Teknologi Farmasi Indonesia (IJPST) adalah publikasi ilmiah pada seluruh aspek Sains dan Teknologi Farmasi. Jurnal ini diterbitkan 3 kali setahun untuk menyediakan forum bagi apoteker, dan profesional kesehatan lainnya untuk berbagi praktik terbaik, meningkatkan jaringan kerja dan pendekatan yang lebih kolaboratif dalam Sains dan Teknologi Farmasi.
Arjuna Subject : -
Articles 6 Documents
 1 
Search results for , issue "Suppl. 2, No. 2 (2019)" : 6 Documents clear
Molecular Docking Simulation of Cinchona Alkaloids Derivatives as Anti-cancer Agent Teni Ernawati
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 (463 KB) | DOI: 10.24198/ijpst.v1i2.20203

Abstract

One of the triggers of breast cancer is the estrogen hormone. Estrogen α receptors play a role in breast development and growth. Estrogen receptors as molecular targets have been widely reported. Cinchona alkaloids have been known to function as anti-malarial, but recent studies have shown that cinchona alkaloids have other potentially such as anti-cancer, anti-tumor, anti-microbial, anti-HBV, anti-inflammatory, anti-oxidant, anti-obesity. Cinchona alkaloids have been developed as anti-cancer agent. They have comparable reactivity and selectivity of cinchona alkaloids functional to anti-cancer agent. In this study, molecular modeling has been performed on forty-four cinchona alkaloid derivatives. These cinchona alkaloids derived compounds have been evaluated as anti-cancer agent. Herein, we observed molecular interactions between selectivity of cinchona alkaloids with estrogen α receptors (ER-α). The docking simulation showed 3 cinchona alkaloids derivatives (cinchonine 2-chlorobenzoate, cinchonidine benzoate and cinchonine 2-(4-hydroxyphenyl) acetate) have lower free energy Gibs and and low kinetic inhibition compared to tamoxifen (as standard commercial) and there are 14 compounds that have relatively the same activity as tamoxifen from 44 alkaloid chincona derivatives.Keywords: cinchona alkaloids derivatives, quinine, quinidine, cinchonine, cinchonidine, anti-cancer, molecular docking
Synthesis, Characterization, Anticancer and In Silico ADME Properties of Caproic Acid Derivatives against P388 Cancer Cell Lines Galuh Widiyarti; Andini Sundowo; Megawati Megawati; Teni Ernawati
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 (435.563 KB) | DOI: 10.24198/ijpst.v1i2.20192

Abstract

The in-silico properties of absorption, distribution, metabolism, and excretion (ADME) and drugs likeness of caproic acid ester derivativeswere evaluated. The esterification of caproic acid from palm kernel oil with sitronelol and geraniol from citronella oil has been carried out using base (NaOH) catalyst. The cytotoxicity of ester compounds were also tested against P388 murine leukemia cancer cell lines using MTT method. Analysis of the ester productswere carried outusing spectroscopic (IR, MS and 1H-NMR) methods, which were confirmed that the desired compounds were successfully synthesized. Caproic acid ester derivatives showed higher anticancer activity compared to the parent caproic acid for P388 cancer cell lines. Citronellyl caproate with IC50 4.15x10-2µM has the strongeractivity than geranyl caproate with IC50 11x10-2 µM.  ADME studies for the synthesized compounds revealed that the ester compounds have fulfill the Lipinski rule of five and has no carcinogenicity effect to rat or mouse.Key words: caproic acid, ester, P388, MTT, ADME
In Silico Study of Weight-selected Molecules of Sea Cucumber as Antimitotic through PyRx-Vina Approach Broto Santoso
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 (854.894 KB) | DOI: 10.24198/ijpst.v1i2.20210

Abstract

Active ligands usually have low molecular weights (MW). However, paclitaxel, a natural anticancer, has high MW. Some compounds (MW = 750-1000 dalton) in Sea cucumber from TCMSP database have anticancer activity. The objective of study is to obtain docking profile of selected compounds compared to taxol as native. Three of human kinesin-8, were collected from the RCSB database and regenerated by adding hydrogen atoms and charge using the Dock Prep in Chimera. These proteins and selected compounds were prepared to fulfil PyRx's requirement. Molecular docking was performed based on mass center value and grid-box volume from previous studies and resulted vina-score (kcal/mol). Docking data and their 3D conformation were analyzed using PyMOL, PoseView, and PLIP. The native alignment results between docked and original conformation showed that their RMSD value is less than one and only one that has the same three-dimensional conformation. Holothurinoside D, desholothurin B, and 2,4-dehydroechinoside B have a binding affinity of -9.7, -9.4, and -9.3 kcal/mol, respectively. Their value is better or at least the same as the native (-9.3 kcal/mol). Hydrophobic interactions between proteins and ligands occurred at residue of F272, V23, and P360. These results confirm that the anticancer mechanism of these compounds may be through inhibition of kinesin-8. Key words: in silico, sea cucumber, antimitotic, PyRx-vina
Exploration of Indonesian Plants as Skin Lightening against Tyrosinase: A Virtual Screening Pandu Hariyono; Jasson Rhinehard Karamoy; Maywan Hariono
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 (836.774 KB) | DOI: 10.24198/ijpst.v1i2.20194

Abstract

Aesthetic is nowadays becoming as one of the important things for people to increase self-confidence. Flawless skin could be one of the desired looks especially for females which is a valuable cosmetics market. Skin browning is often associated with dermatological problems which may lead to hyperpigmentation due to the increase of the melanin biosynthesis. Skin browning could be caused by the overproduction of melanin which is accelerated by the presence of human tyrosinase. Therefore, the inhibition of this kind of enzyme is associated with skin lightening. In this present study, we perform in silico virtual screening against human tyrosinase by utilizing a natural product database from Indonesia Herbal Database (http://herbaldb.farmasi.ui.ac.id/v3/) to select 20 hit compounds. The simulation was carried using AutoDock Vina via molecular docking. The result shows that from 200 compounds of the database, those hits have a free energy of binding range from -12.1 to -9.2 kcal/mol predicting the affinity of the corresponding compounds towards human tyrosinase associating with its potential as a skin whitening agent. The hits correspond to their presence in Indonesian local plant that could be potential as resources for skin whitening.Keywords: Indonesian plant, molecular docking, skin lightening, tyrosinase, virtual screening.
In Silico Study of Thioguanine Derivatives as Hemopexin Matrix Metalloproteinase9 (PEX-9) Inhibitors Kevin Cahaya Putra; Ervan Setyo Nugroho; Yohanes Krisna Wisnumurti; Sangga Putra Dewa; Benedictus Wisnu Putra Jati; Reynaldo Tiara; Dewi Setyaningsih; Maywan Hariono
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 (788.495 KB) | DOI: 10.24198/ijpst.v1i2.20195

Abstract

Matrix Metalloproteinase (MMP) was broadly studied as one of the protein targets in stopping angiogenesis. The most common target in MMP, i.e., the catalytic site, is reported as being the non-selective target for inhibition amongst all MMPs, but its inhibition is associated with adverse side effects. Hemopexin in MMP9 (PEX9) was found to be different to the other domains in the MMP family, which could be the next target for anticancer due to the availability of its crystal structure in the protein data bank (pdb). In this study, we design the analogues of a compound from the ZINC database bearing a pyrimidinone scaffold which previously showed activity as a PEX9 inhibitor using molecular docking. The docking is carried out using Autodock 4.0 with parameters such as 250 run and lammarckian genetic algorithm. The result shows that six designed compounds have a free energy of binding from -7.0 to -11.0 kcal/mol. The important amino acid residues which are involved in the hydrogen bond interaction are ARG106, GLU60, GLU14, and GLN154. In conclusion, the six design compounds could give an insight mechanism to inhibit the PEX-9 activity in silico.Keywords: Docking, Hemopexin, MMP9, PEX9, Thioguanine
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

Page 1 of 1 | Total Record : 6

 1 

Filter by Year

2019 2019


Reset
Filter By Issues
All Issue Vol 12 (2025): Vol. 12 Suppl. 2 (2025) 2025: Vol. 12 Suppl. 1 (2025) Vol 12, No 3 (2025) Vol 12, No 2 (2025) Vol 12, No 1 (2025) 2024: Suppl. 6, no. 3 (The 3rd Mandala Waluya International Conference on Pharmaceutical Science and Vol 11, No 3 (2024) Vol 11, No 2 (2024) Vol 11, No 1 (2024) 2024: Suppl. 6, No. 2 (Universitas Halu Uleo Conference) 2024: Suppl. 6, No. 1 (Special Issue for Mulawarman Pharmaceutical Conference) Suppl. 5, No. 2 (2023) Special Issue for The 3rd Bandung International Teleconference on Pharmacy (B Vol 10, No 3 (2023) Vol 10, No 2 (2023) Vol 10, No 1 (2023) Suppl. 5, No. 1 (2023) Vol 9, No. 3, 2022 Vol 9, No. 2, 2022 Vol 9, No 1 (2022) Suppl. 4, No. 1 (2022) Vol 8, No 3 (2021) Vol 8, No 2 (2021) Vol 8, No 1 (2021) Suppl. 3, No. 1 (2021) Vol 7, No 3 (2020) Vol 7, No 2 (2020) Vol 7, No 1 (2020) Vol 6, No 3 (2019) Vol 6, No 2 (2019) Vol 6, No 1 (2019) Vol 6, No 1 (2019 In Press) Suppl. 2, No. 3 (2019) Suppl. 2, No. 2 (2019) Suppl. 2, No. 1 (2019) Vol 5, No 3 (2018) Vol 5, No 3 (2018) Vol 5, No 2 (2018) Vol 5, No 2 (2018) Vol 5, No 1 (2018) Vol 5, No 1 (2018) Suppl 1, No. 1 (2018) Suppl 1, No. 1 (2018) Vol 4, No 3 (2017) Vol 4, No 3 (2017) Vol 4, No 2 (2017) Vol 4, No 2 (2017) Vol 4, No 1 (2017) Vol 4, No 1 (2017) Supp 1, No 1 (2017) Supp 1, No 1 (2017) Vol 3, No 3 (2016) Vol 3, No 3 (2016) Vol 3, No 2 (2016) Vol 3, No 2 (2016) Vol 3, No 1 (2016) Vol 3, No 1 (2016) Vol 2, No 3 (2015) Vol 2, No 3 (2015) Vol 2, No 2 (2015) Vol 2, No 2 (2015) Vol 2, No 1 (2015) Vol 2, No 1 (2015) Vol 1, No 2 (2014) Vol 1, No 2 (2014) Vol 1, No 1 (2014) Vol 1, No 1 (2014) More Issue