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   Table of Contents - Current issue
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July-September 2022
Volume 13 | Issue 3
Page Nos. 141-242

Online since Tuesday, July 5, 2022

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REVIEW ARTICLES  

A systematic review: Molecular docking simulation of small molecules as anticancer non-small cell lung carcinoma drug candidates Highly accessed article p. 141
Syahrul Hidayat, Faisal Maulana Ibrahim, Cecep Suhandi, Muchtaridi Muchtaridi
DOI:10.4103/japtr.japtr_311_21  
Non-small cell lung carcinoma (NSCLC) is a type of lung cancer with the highest prevalence and mortality rate worldwide. Many cases of this type of cancer are overexpression on epidermal growth factor receptor (EGFR). The use of currently available EGFR inhibitors as one of the treatment options for NSCLC still shows various shortcomings, especially the high failure rate of therapy due to resistance. It is important to find NSCLC drug candidates with EGFR inhibitory activity. There are various published articles and it is prominent to draw evidence-based scientific conclusions as a basis of decision-making to select potential compounds for further research. Polymer matrix composites and ScienceDirect are used as a database for article screening. Research using molecular docking method targeted to EGFR with parameters of Gibbs energy and amino acid interactions between ligands and drug targets are included in inclusion criteria. Compounds that achieve docking parameters and have comparable activity to NSCLC guideline drugs are conscientiously ranked. There are only 11 compounds that achieved the docking parameters and had comparable EGFR inhibitory potential. Top-rated compounds include 1,3,5-trisubstituted pyrazoline (3c), 1,3,5-trisubstituted pyrazoline (6c), 1,3,5-trisubstituted pyrazoline (8d), N-(3,4-Dimethylphenyl)-2-[(4-oxo-3-(4-sulfamoylphenyl)-3,4-dihydrobenzo[g] quinazolin-2-yl) thio] acetamide. The top-rated compounds can be used and considered for further research processes.
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Antibacterial activities of seven ethnomedicinal plants from family Annonaceae p. 148
Diannita Harahap, Sarah Niaci, Vivi Mardina, Bintang Zaura, Intan Qanita, Agnia Purnama, Kana Puspita, Diva Rayyan Rizki, Muhammad Iqhrammullah
DOI:10.4103/japtr.japtr_111_22  
Serious threat to human health caused by bacterial infection persists as a global concern. It becomes more serious when the burden of multidrug-resistance bacteria is in the increasing trend. To overcome, researches have been conducted to develop antibacterial agents from plant-derived bioactive compounds. This review article focuses on the antibacterial activities of plant extracts from seven Annonaceae members, namely Annona muricata, Annona reticulata, Annona squamosa, Cananga odorata, Annona hypoglauca, Polyalthia longifolia, and Xylopia aethiopica. First, ethnomedical uses of the aforementioned plants are discussed and followed by the screening results of related phytochemicals. Among many secondary metabolites contained in the extracts of Annonaceae spp., anonaine, nornuciferine, and liriodenine are common and bioactive. The extracts were reported to have bacteriostatic and bactericidal properties against a wide spectrum of bacteria, including multidrug-resistant Escherichia coli, Staphylococcus aureus, Bacillus cereus, Enterococcus faecalis, Enterobacter aerogenes, Enterobacter cloacae, Salmonella choleraesuis, Salmonella typhimurium, and Shigella dysenteriae. We conclude that investigation on the extracts from Annonaceae spp. could contribute to the development of antibacterial agents that could be used against multidrug-resistant bacteria.
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Analytical methods for honeybee venom characterization p. 154
Iouraouine El Mehdi, Soraia I Falcão, Saïd Boujraf, Harandou Mustapha, Maria G Campos, Miguel Vilas-Boas
DOI:10.4103/japtr.japtr_166_21  
The discovery of new drugs has benefited significantly from the development of research in venomics, increasing our understanding of the envenomation processes. It has been previously reported that honeybee venom (HBV) exhibits several pharmacological activities such as anti-inflammatory, antibacterial, antimutagenic, radioprotective, and anticancer activity and may inclusively act as a complementary treatment for SARS-CoV-2. It composition consists mainly on melittin, phospholipase A2, and apamin but other constituents such as hyaluronidase, mast cell degranulating peptide and secapin are also relevant for its bioactivity. However, and because HBV is not officially recognized as a drug, until now, the international community did not establish quality standards for it. To uncover its exact composition, and boost the discovery of HBV-derived drugs, a significant number of techniques were developed. In this review, a relevant overview of the so far published analytical methods for HBV characterization is organized with the aim to accelerate its future standardization. The literature search was performed within PubMed, Google Scholar, and Science Direct by selecting specific documents and exploring HBV evaluation.
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ORIGINAL ARTICLES Top

Production, separation, and antimicrobial activity assessment of pristinamycin produced using date fruit extract as substrate p. 161
Siddig H Hamad, Salah M Aleid, Rafe E Elgorashe, Mohammed Y Babker
DOI:10.4103/japtr.japtr_40_22  
Date fruits extract was assessed as substrate for pristinamycin production in shake flasks using Streptomyces pristinaespiralis DSMZ 40338 as production organism. A process of microfiltration, concentration, and solvent extraction was used to recover the antibiotic from the fermentation broth and its antimicrobial activity was tested using a well assay method. During a fermentation period of 120 h, the bacterium consumed approximately 28.4 g/l sugars, grew from 0.4 g/l to 4.0 g/l dry weight, and produced 51.0 mg/L pristinamycin. The microfiltration, concentration, and ethyl acetate solvent extraction applied resulted in 71% pristinamycin recovery. The antibiotic showed inhibition capacity comparable to that of the pristinamycins IA and IIA standards. The inhibited bacteria were Staphylococcus aureus, Escherichia coli, and Enterococcus faecium. Clear inhibition zones of 13.3–19.6 mm diameter were formed.
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Antioxidant properties of the methanolic extract of avocado fruit peel (Persea americana Mill.) from Indonesia p. 166
Nurdin Rahman, Sri Mulyani Sabang, Rukman Abdullah, Bohari Bohari
DOI:10.4103/japtr.japtr_22_22  
This study analyzed the antioxidant activity and the phytochemical substances in avocado fruit peel extracted with methanol. In this study, antioxidant activity was determined by IC50 based on the regression value of DPPH free radicals' inhibition. Phytochemical content was measured qualitatively concerning the total content of phenols, flavonoids, tannins, saponins, and alkaloids. Our measurements showed that the methanolic extract of avocado fruit peels from Indonesia had the value of each phytochemical compound as follows: total phenol was 21.833 ± 0.118 mg/100 g extract; total flavonoids were 2.607 ± 0.111 mg/100 g extract; total tannin was 38.357 ± 0.202; saponin content was 8.874% ± 0.031%; and total alkaloid was 9.95 ± 0.035 mg CE/g extract. They then provided the antioxidant activity in IC50, which reached 185.891 ± 1.598 ppm. Avocado fruit peels are identified as a phytochemical source that contributes to antioxidant activities.
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Improving of pelB-Secreted MPT64 protein released by Escherichia coli BL21 (DE3) using Triton X-100 and Tween-80 p. 171
Sri Agung Fitri Kusuma, Toto Subroto, Ida Parwati, Yaya Rukayadi, Muhammad Fadhlillah, Ruth Michellee Pardede, Alif Virisy Berlian, Gina Sabila
DOI:10.4103/japtr.japtr_25_22  
pelB has been known as a successful signal peptide to translocate the protein target extracellularly in the Escherichia coli system. However, in our previous study, the yield of MPT64 protein extracellular recovery was still low and plenty of this protein was remain trapped in cytoplasm and periplasm. Recently, nonionic surfactants were efficiently reported to secrete recombinant protein extracellularly. Nonetheless, it must be clarified whether the surfactant supplementation can improve the yield of MPT64 extracellular protein significantly without giving impact on the structure of isolated MPT64 protein and can minimized the cell lysis effect. MPT64 protein secretion was carried out by comparing the effects of surfactants Tween 80 and Triton × 100 at various concentrations. Triton × 100 was able to increase the extracellular MPT64 protein gain up to 3 times higher than Tween 80 and it was in line with the greater level ratio of cell leakage of Triton × 100 compared to that of Tween 80. Similarly, the viable cell of the cultures decreased dramatically. However, both surfactants did not interfere the structure of MPT64 protein. In conclusion, Triton × 100 can be chosen as the supporting surfactant to assist the act of peptide signal in improving the resulting of MPT64 extracellular protein.
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Innovated formulation of oseltamivir powder for suspension with stability study after reconstitution using a developed ion-pair reversed phase high-performance liquid chromatography method p. 177
Kahtan Jassim Hasson
DOI:10.4103/japtr.japtr_33_22  
Oseltamivir is an antiviral neuraminidase inhibitor used for the treatment and prophylaxis of influenza infection with viruses A and B. The mechanism of oseltamivir antiviral activity is by inhibiting the activity of the viral neuraminidase enzyme present on the surface of the virus, which stops viral replication and infectivity. Oral suspensions of oseltamivir phosphate are dispensed orally capsules and suspension. However, the use of oral suspension for pediatric administration is preferable and is prepared as a powder for suspension. The reconstituted suspension degrades rapidly within a few days. The objective of this work is to establish a stable formulation of oseltamivir phosphate as a suspension and to assure the stability conditions for prolonged use after reconstitution in aqueous form. In addition, this required formulation should maintain a high rate of dissolution, which subsequently leads to higher bioavailability. In this study, oseltamivir forms an inclusion complex with the natural and safe polymer hydroxypropyl beta-cyclodextrin, which resembles a host because its structural cavity carries the oseltamivir molecule in the aqueous preparation and provides a protective property against environmental challengers. In addition, a high-performance liquid chromatography (HPLC) stability-indicating method of analysis has been developed using an ion-pair reversed-phase HPLC technique that is validated for precision, accuracy, reproducibility, and specificity for the determination of oseltamivir in suspension. The results of this work show the relatively long shelf life of the reconstituted oseltamivir oral powder for suspension in the new pediatric formulation, and the developed HPLC method was precisely suitable for stability study.
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In vitro studies on the cytotoxicity, elastase, and tyrosinase inhibitory activities of tomato (Solanum lycopersicum Mill.) extract p. 182
Neneng Siti Silfi Ambarwati, Mari Okatini Armandari, Wahyu Widayat, Yesi Desmiaty, Berna Elya, Ayun Erwina Arifianti, Islamudin Ahmad
DOI:10.4103/japtr.japtr_49_22  
Tomatoes (Solanum lycopersicum Mill.), a common vegetable in Indonesia, contain high levels of lycopene, which is good for the body. This research further investigates the activity of polar and nonpolar fractions of tomatoes as elastase and tyrosinase inhibitory, and cytotoxic agents. The extraction procedure used is maceration, fractionation through liquid-liquid fractionation, purification of phytochemical substances is achieved through the application of thin layer chromatography. Elastase and tyrosinase inhibitory activity was analyzed using spectrophotometry and 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide cytotoxic assay. The result showed that the extract yield was 0.004%. The percentage of polar fraction from the extract was 2.58%, while the nonpolar fraction was 0.69%. The elastase inhibitory activity of polar and nonpolar fractions of tomato extract is 87.21% ± 7.57% and 73.12% ± 7.44%, respectively, The elastase inhibitory activity of polar and nonpolar fractions of tomato extract is 87.21% ± 7.57% and 73.12% ± 7.44%, respectively. The fractions had higher the anti-elastase activity than the positive control quercetin (65.97% ± 3.00%). The tyrosinase inhibitory activity of polar and nonpolar fractions of tomato extract is 23.71% ± 7.91% and 41.16% ± 5.41% (kojic acid as standard is 65.07% ± 0.86%), respectively. The IC50 of the cytotoxic assay to NIH 3T3 mouse embryonic fibroblast cells of the polar and nonpolar fraction of tomato extract is 1820.90 μg/mL and 1643.86 μg/mL, respectively.
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Curcumin: Boosting the immunity of COVID-19-vaccinated populations p. 187
Sry Suryani Widjaja, Rusdiana Rusdiana, Rina Amelia
DOI:10.4103/japtr.japtr_54_22  
The ongoing, highly infectious COVID-19 pandemic has prompted various drugs, vaccines, and phytochemical research to control the disease. The accelerated development of vaccines showed the importance of immune boosters against the virus. This study aims to elucidate the role of curcumin, a phytochemical with an immunoediting profile potentially able to boost immunity after vaccination. Eighty participants were enrolled to receive curcumin supplementation (n = 40) and without (n = 40) after the first vaccination until 4 weeks after the second vaccination. Total antibody formation for SARS-CoV-2 was measured using an enzyme-linked immunosorbent assay 4 weeks after the second vaccination. The average antibody formed in groups treated with curcumin supplementation showed a statistically significant increase compared to the control group (262.6 ± 324.2 vs. 42.8 ± 53.5, P < 0.01). Age, sex, and comorbidities did not affect the production of antibodies within groups. Curcumin showed potential as a complementary supplementation during the period of vaccination as it can increase antibodies produced post vaccinations. Further investigation should be conducted on more subjects and a longer period in concordance to vaccine boosters and emerging new variants.
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Prediction of the mechanism of action of catechin as superoxide anion antioxidants and natural antivirals for COVID-19 infection with in silico study p. 191
Achmad Zainuddin, Ika Wiani Hidayat, Dikdik Kurnia, Zenika Febian Ramadhanty, Rizal Padilah
DOI:10.4103/japtr.japtr_67_22  
Coronavirus disease-2019 (COVID-19) is caused by the severe acute respiratory syndrome coronavirus-2 attacking the lungs, which contain the most oxygen. The involvement of oxidative stress in the body and the role of antioxidant compounds, namely catechins, are thought to be able to prevent various diseases, including the COVID-19 infection virus. An in silico approach was employed between the catechins and the protein NADPH oxidase (Nox), followed by the coronavirus protease protein, to limit the generation of reactive oxygen species. This research using the in silico method seeks to predict the mechanism of action of catechin as a superoxide radical anion inhibitor and as an antiviral for COVID-19. This study carried out molecular docking simulations of catechin compounds against Nox and coronavirus proteases and then compared them with positive controls GKT136901 and remdesivir. The binding energy of catechin and Nox in a docking simulation is − 8.30 kcal/mol, which is somewhat lower than GKT136901's binding value of − 8.72 kcal/mol. Catechin and coronavirus proteases had binding energy of − 7.89 kcal/mol, which was greater than remdesivir's binding energy of − 7.50 kcal/mol. Based on in silico data, catechin as an antioxidant compound can be antiviral for COVID-19.
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Mode action prediction of catechin from Uncaria gambir Roxb. against UDP-N-acetylenolpyruvyl-glucosamine reductase (MurB enzyme) of Streptococcus mutans: In silico study p. 197
Hendra Dian Adhita Dharsono, Lydiawati Wibisono, Ayu Trisna Hayati, Eti Apriyanti, Mieke Hemiawati Satari, Dikdik Kurnia
DOI:10.4103/japtr.japtr_313_21  
The prevalence of oral health problems in the global population is still high, especially dental caries, which is considered a multifactorial disease involving the role of bacteria, namely Streptococcus mutans. Gram-positive bacteria metabolize carbohydrates and sugars and convert them into lactic acid, causing dental caries. The peptidoglycan (PG) layer at the outer surface of the bacteria acts as protection. MurB enzyme is known for its contribution to PG biosynthesis. Gambir (Uncaria gambir Roxb.) is famous for many efficacies. Previous studies show that catechin from herb plants such as U. gambir has antibacterial activity. This study aimed to evaluate and predict the antibacterial activity of catechin from U. gambir against the MurB enzyme, which contributes to forming the bacteria PG, with an in silico approach. The structure of the MurB enzyme was collected from UniProt, and the ligands (catechin and chlorhexidine) structures were obtained from PubChem. The AutoDock software was used to dock both ligand and MurB enzyme visualized using PyMOL and analyzed using BIOVIA. The results showed that catechin has a binding affinity of more than − 7 kcal/mol against the MurB enzyme, and chlorhexidine has a higher binding affinity than catechin. Both catechin and chlorhexidine have similar amino acids attachment by hydrogen bonds. The results showed that catechin has competitive antibacterial activity against chlorhexidine in inhibiting the MurB enzyme.
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Potential of Hibiscus sabdariffa L. Calyx (Rosella) extract as antibacterial agent in dental disease: Phytochemical and chemical components profiling p. 202
Dewi Fatma Suniarti, Trijani Suwandi, Salsabila Aqila Putri, Dikdik Kurnia
DOI:10.4103/japtr.japtr_64_22  
Chemical characteristics of natural products are influenced by different external factors, varying according to the geographic origin. The ethanol extract of Hibiscus sabdariffa L calyx Indonesia has been studied in vivo and in vitro provide potential effect for dental field uses. Ethanol extract showed antibacterial to Streptococcus sanguinis as an inducer gingivitis, had an effect on the treatment of oral mucosa ulceration, and could inhibit the development of alveolar bone destruction. This study aims to determine the chemical groups and components of ethanol extract of H. sabdariffa L. calyces (Indonesia origin). Chemical group of ethanol extract H. sabdariffa L calyx Indonesia was analysis through phytochemical screening, whereas chemical components were detected through gas chromatography–mass spectrometry analysis. Saponins, tannins, phenolic, flavonoids, triterpenoids and glycosides, and 17 chemical components were identified in the ethanol extract of H. sabdariffa L calyx Indonesia. Among the chemical components, fatty acids group showed the most dominant. For standardization and develop of oral drug preparation, a better chemical components and phytochemical profiling are essential because the extract quality of herbs has various quality.
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Dipeptidyl peptidase IV inhibition of phytocompounds from Artocarpus champeden (Lour.) Stokes: In silico molecular docking study and ADME-Tox prediction approach p. 207
Supandi Supandi, Mesy Savira Wulandari, Erwin Samsul, Azminah Azminah, Reza Yuridian Purwoko, Herman Herman, Hadi Kuncoro, Arsyik Ibrahim, Neneng Siti Silfi Ambarwati, Rosmalena Rosmalena, Rizqi Nur Azizah, Swandari Paramita, Islamudin Ahmad
DOI:10.4103/japtr.japtr_376_22  
The present study examines the potential activity prediction based on free binding energy (ΔG) and interaction confirmation of phytocompounds from Artocarpus champeden (Lour.) Stokes with macromolecule protein receptor of dipeptidyl peptidase IV (DPP-IV) using in silico molecular docking studies and physicochemical and pharmacokinetic properties (ADME-Tox) prediction approaches. The active subsites of the DPP-IV receptor macromolecule protein Protein Data Bank (ID: 1 × 70) were docked using Autodock v4.2.6 (100 docking runs). A grid box of 52 × 28 × 26 Å points spaced by 0.37 Å was centered on the active site of x = 40.926 Å; y = 50.522 Å; z = 35.031 Å. For ADME-Tox prediction, Swiss ADME online-based application programs were used. The results show that 12 pythocompounds from A. champeden have the potential as DPP-IV inhibitors based on ΔG value and interaction conformation. There are five pythocompounds with lower ΔG values and inhibition constants than the native ligand and seven pythocompounds with ΔG values and inhibition constants close to the native ligand. The 12 compounds form an interaction conformation at the active subsites of the DPP-IV receptor. At the same time, the results of the ADME-Tox prediction analysis showed that the 12 compounds had different physicochemical and pharmacokinetic properties.
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Antioxidant and antiproliferative activities of n-hexane extract and its fractions from Blumea balsamifera L. leaves p. 216
Binawati Ginting, Ilham Maulana, Mustanir Yahya, Nurdin Saidi, Murniana Murniana, Kartini Hasballah, Maulidna Maulidna, Siti Rawati
DOI:10.4103/japtr.japtr_105_22  
Blumea balsamifera is a plant species that has been popularly used to treat a broad spectrum of diseases. In efforts of tackling the increasing threat of cancers, B. balsamifera has been studied for its anticancer potentials. Hence, through this research, we aimed to evaluate the antioxidant and antiproliferative activities of n-hexane extract from B. balsamifera L. leaves along with its fractionation products. After the n-hexane extract has been obtained, the sample was column chromatographed using gradient elution with n-hexane:ethyl acetate solvent. All the isolation protocols produced 1 n-hexane extract and 10 different fractions (fractions 1–10). Antioxidant and antiproliferative effects of the samples were assessed based on 2,2-diphenyl-1-picrylhydrazyl and brine shrimp lethality test assay, respectively. None of the samples have a strong antioxidant level because all samples yielded IC50 of more than 100 ppm – the best of them was fraction 8 with IC50 = 113.716 ppm. On contrary, most of the samples were observed to have a potent antiproliferative effect, especially fraction 8 with LC50 = 2.00 ppm. Taken altogether, fraction 8 from the n-hexane extract of B. balsamifera L. leaves is the most potential candidate for proliferative disease therapy, where further studies confirming the results are required.
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Impact of lockdown and COVID-19 on the learning status of postgraduate students during the pandemic in India: A questionnaire-based study p. 221
Swetha Vempalli, R Naveen Reddy, Ayyagari Viresh Goutameshwar, Nagaveni S Somayaji, Jagadish Prasad Rajguru, Vibhuti , Jyotirmay Singh
DOI:10.4103/japtr.japtr_115_22  
Observations have suggested that during the coronavirus disease 2019 pandemic, because of lockdown students who are in process of doing their thesis related work exhibit responses related to stress due to the fear of spread contagion and because of various limitations in performing thesis work, especially patient-oriented collection of data and clinical work. The present study aimed to determine various problems faced by the students in postgraduate courses for completing their thesis during pandemic. This was a prospective and cross-sectional study based on a questionnaire. This study was comprised of a total sample size of 300 postgraduate students of different disciplines in the health stream. The study was conducted between June 2021 and December 2021. The prepared study questionnaire was sent to postgraduates by use of electronic mail. Of the total selected students, 280 had responded with complete answers to the questionnaire. Collected data were entered into a Microsoft Excel sheet and analyzed for percentage distribution. 50.7% of postgraduates were found in the age range of 26–30 years, 73.1% were female and 35.6% were in their final year of postgraduation. It was seen that 6.5% were unable to procure ethical approval due to the pandemic, and 43.1% were not able to get permission from the board due to the sudden pandemic. 64.9% were unable to collect data for their thesis, and 18% were unable to report to supervisors. 86.9% of postgraduates suffered from anxiety due to the inability to perform thesis work. 78.9% of postgraduate students had a decrease in motivation for a thesis and 89.1% suffered from anxiety. Due to the ongoing pandemic, postgraduate students are facing many problems in completing their thesis work. This resulted in anxiety and stress themselves.
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Assessment of pharmacognostic specification of Cannabis sativa leaves in Thailand p. 226
Kanittha Nakkliang, Chitlada Areesantichai, Kanchana Rungsihirunrat
DOI:10.4103/japtr.japtr_96_22  
Lack of quality control can affect the safety, efficacy, and acceptability of herbal products that may lead to health problems. Cannabis sativa L. (Cannabaceae) has been widely used as an ethnomedicinal practice for its medicinal values. This study aims to establish pharmacognostic specifications of C. sativa as per standard procedures. Macroscopic-microscopic characteristics, physicochemical parameters, thin-layer chromatography (TLC) fingerprinting, and phytochemical screening of C. sativa leaves collected from various locations throughout Thailand were investigated. Leaves are palmate consists of seven leaflets with green color, margin is serrate with acuminate apex. Anomocytic stomata were found in the upper epidermis while unicellular and glandular trichomes with cystolith were found in the lower epidermis and the epidermis layer covered with cuticle. The physicochemical analysis revealed that the loss on drying (4.068 ± 0.084 %w/w) was within acceptable limits, total ash (14.360 ± 0.084%w/w), acid insoluble ash (2.726 ± 0.080%w/w), ethanol-soluble extractive (11.101 ± 0.223%w/w), water-soluble extractive (23.038 ± 0.306%w/w), and water content (7.523 ± 0.524%w/w). TLC fingerprint showed nine spots with Rf value 0.14, 019, 0.23, 0.29, 0.32, 0.45, 0.58, 0.70, and 0.76. Phytochemical screening of Cannabis leaves indicated the presence of phenolic compounds, flavonoids, alkaloids, diterpenes, triterpenes, and steroids. This study provided referential data for the accurate plant identity, and establishment of cannabis leaves monograph in Thailand.
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Serine racemase interaction with N-methyl-D-aspartate receptors antagonist reveals potential alternative target of chronic pain treatment: Molecular docking study p. 232
Ristiawan Muji Laksono, Handono Kalim, Mohammad Saifur Rohman, Nashi Widodo, Muhammad Ramli Ahmad
DOI:10.4103/japtr.japtr_72_22  
Serine racemase (SR) catalyzes L-serine racemization to activate the N-methyl-D-aspartate receptor (NMDAR). NMDAR activation is associated with the progression of acute-to-chronic neuropathic pain. This study aimed to investigate NMDAR antagonist interactions with SR to obtain potential chronic pain target therapy. Several NMDAR antagonist drugs were obtained from the drug bank, and malonate was used as a control inhibitor. Ligands were prepared using the open babel feature on PyRx. The SR structure was obtained from Protein data bank (PDB) (3l6B) and then docked with ligands using the AutoDock Vina. Haloperidol had a lower binding affinity than malonate and other ligands. Ethanol had the highest binding affinity than other drugs but could bind to the Adenosine triphosphate (ATP)-binding domain. Haloperidol is bound to reface that function for reprotonation in racemization reaction to produce D-serine. Halothane bond with Arg135 residues aligned negatively charged substrates to be reprotonated properly by reface. Tramadol is bound to amino acid residues in the triple serine loop, which determines the direction of the SR reaction. Several NMDAR antagonists such as haloperidol, halothane, ethanol, and tramadol bind to SR in the specific binding site. It reveals that SR potentially becomes an alternative target for chronic pain treatment.
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Optimization of microspheres containing virgin coconut oil and hydrolyzed virgin coconut oil as antimicrobial p. 238
Dewi Melani Hariyadi, Aldesra Fitri, Sisunandar Sudarma, Tutiek Purwanti, Tristiana Erawati
DOI:10.4103/japtr.japtr_99_22  
Virgin Coconut Oil (VCO) with potential fatty acid content has a strong antibacterial effect for drug and cosmetics. VCO was hydrolyzed as hydrolyzed VCO (HVCO) to increase its activity. This study aims to optimize VCO and HVCO microspheres. Examination was included fatty acid content, density, and organoleptic. VCO and HVCO microspheres were characterized by yield, moisture content (MC), morphology, and size. Fatty acid content was done through gas chromatography mass spectrometry whereas for microspheres, effect of alginate concentration (1%–2%), and addition of poly ethylene glycol (PEG) were studied. VCO and HVCO microspheres formulas showed that an increase in polymer concentration, increasing yield, and improving MC. The most optimal 2% alginate with the addition of PEG increased yield up to 59% and reduced size. F4 microspheres resulted the highest yield, low MC, and high fatty acids. Morphology was spherical and smooth with small size. Optimization of HVCO microspheres showed its potential which recommend for antibacterial and antifungal activity.
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