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Somayeh Ghasemi,
Volume 4, Issue 4 (3-2018)
Abstract

This study aimed to recycle sawdust and blood powder using Eisenia foetida earthworm and investigate some biochemical changes of these waste materials during vermicomposting. Blood powder was mixed with sawdust in proportions of 0, 5 and 10% and the mixture was allowed to pass through earthworm guts for four months. At intervals of 1, 2, 3, 4, 6, 8, 12 and 16 weeks, the biological activity (i.e. basal respiration), pH, EC, total organic carbon, total nitrogen and C:N ratio were determined. The results showed that the period of time, the concentration of blood powder and the interaction between these two significantly affected all parameters. As the incubation time increases, the cumulative amount of mineralized carbon, the total nitrogen and EC increase in all vermicompost treatments whereas organic carbon, C:N ratio and  pH decreased. Adding blood powder to sawdust bed resulted in an increase in carbon mineralization rate, EC and total nitrogen while pH, organic carbon and C: N ratio decreased. At the end of incubation time, the treatment of sawdust with 10 % blood powder resulted in the highest amount of released CO2 (142.1 µg C g-1), EC (3.7 dS m-1) and total nitrogen (2.24 %) and the lowest amount of pH (6.6), organic carbon (22.5 %) and C: N ratio (12.4). According to the results, the process of vermicomposting can be used as a safe method for the disposal of sawdust and blood powder
Azadeh Niknejad,
Volume 5, Issue 3 (12-2018)
Abstract

Molecular farming technology offers a unique advantage that almost any protein can be produced economically and safely under very controlled conditions. Besides traditional production systems, such as bacteria, yeasts, insects and mammal cell lines, plants can now be used to produce eukaryotic recombinant proteins, especially therapeutic ones. Their advantages as hosts for protein production include correct post-translational modifications, low-cost maintenance and no risk of contamination by human pathogens. The system is widely applied in agriculture and industry, especially in life science and pharmaceutical industry. The application of transgenic plants in the production of vaccines, antibodies and pharmaceutical proteins has been playing a key role in plant genetic engineering in recent years. The production of recombinant proteins plays a critical role in the production of high amounts of high-quality proteins. In this review, common problems in the production of recombinant proteins and antimicrobial peptides in plant-based expression systems are discussed and strategies for their solution are suggested. Viral vector-mediated transient gene expression in plants enables rapid production of pharmaceutical proteins such as vaccine antigens and antibodies. To conclude, plant-based systems have the potential to bring unique efficacy-enhancing features to increase the utility and effectiveness of vaccines and therapeutics.

Arastoo Badoei-Dalfard, Maryam Parhamfar,
Volume 7, Issue 4 (2-2021)
Abstract

Phytase can improve the nutritional value of plant-based foods by enhancing protein digestibility and mineral availability through phytate digestion in the stomach and the food processing industry. Microbial sources are more promising for the production of phytases on a commercial scale. The objectives of this exploration were to screening and isolation of phytase-producing bacteria from hot spring with commercial interest. Molecular identification of the best isolate was achieved by the 16S rDNA gene. Optimization of phytase production was prepared in the presence of different phosphate, nitrogen, and carbon sources. Enzyme activity and stability were also explored in the presence of different pHs, temperatures, and ion compounds. Comparing the 16S rDNA gene sequence of the isolate LOR10 with those in GenBank using Clustal omega shows 98% sequence homology with Bacillus amyloliquefaciens. Medium optimization studies showed that galactose, yeast extract, and tricalcium phosphate were the best sources of carbon, nitrogen, and phosphate for phytase production, respectively. The optimum temperature activity was also observed to be 70 oC. Phytase stability was at its optimum in a pH range of 5.0–8.0. Phytase activity increased in the presence of CaCl2, ZnCl2, and MnSO4 about 1.4, 2.3 and 1.6 folds, respectively. It could be mentioned that phytase activity decreased by about 30 % in the presence of EDTA and SDS. On the basis of the results, it could be concluded that LOR10 phytase has a great potential for commercial interest as an additive to animal plant-based foods.
 

Parichehr Hanachi, Hojat Sadeghi Ali Abadi, Nasim Ghorbani, Roshanak Zarringhalami, Khadijeh Kiarostami,
Volume 8, Issue 1 (6-2021)
Abstract

From ancient times, plants have been regarded as therapeutic agents, in addition to their usage as food. Plants are rich sources of antioxidant and phenolic compounds. Lavandula angustifolia and Melissa officinalis are medicinal herbs rich in antioxidant compounds. The aim of this study was to compare the antioxidant and anticancer properties of Lavandula angustifolia and Melissa officinalis extracts using aqueous, ethanol and methanol solvents, to select the best extraction methods and solvents and to evaluate the cytotoxic effect of the extracts on HeLa, OVCAR-3 and MCF-7 cancer cell lines. Methanol, aqueous and ethanol extracts were obtained from the dried leaves of the plants and the antioxidant activities of each extract were measured by DPPH and FRAP methods. Finally, the anticancer effects of the extracts on HeLa, OVCAR-3 and MCF-7 cancer cell lines were evaluated by MTT assay in order to identify the most efficient extract. Comparing the results of total antioxidant assay showed that the highest amount belonged to the ethanol extract of Melissa officinalis and Lavandula angustifolia methanol extracts using lyophilization method. The IC50 value of ethanol extract of Melissa officinalis was equal to 0.028 mg/ml on OVCAR-3 cells, which was the best result obtained in comparison with other solvents, and the ethanol extract of Lavandula angustifolia with IC50 = 2.07 mg/ml on MCF-7 cells was the most effective extract among the others. In HeLa cell-line, methanol extract of Lavandula angustifolia with IC50 = 7.36 mg/ml showed the highest cytotoxicity. In this study, for the first time, the effects of different extracts of Lavandula angustifolia and Melissa officinalis on MCF-7, OVCAR-3 and HeLa cancer cells were evaluated and the results showed that ethanol and methanol extracts of these plants had better toxic effect on cancer cells.

Nina Alizadeh, Shokufeh Malakzadeh,
Volume 8, Issue 2 (7-2021)
Abstract

The aim of this study was to investigate the interaction modification of curcumin complex molecule (CUR) in beta- and gamma-cyclodextrin (β-CD and γ-CD) carriers with chitosan (CS) nanoparticles for targeted drug delivery and to compare their performance. The targeted drug delivery system includes the therapeutic agent of the CS nanoparticles targeting section of the same drug and the CD carrier system. Calculations of the relationships of the formation of modified complexes and their application were performed using UV-vis spectroscopic data analysis. In this study, spectroscopic spectrum diagrams were drawn to prove the optimization of molecular structure in the modified complexes. Data analysis was performed using their respective equations. The cationic polysaccharide CS, with the presence of amino agents and alcohols along the polysaccharide chains, enables it to form a covalent bond with the complexes and increase the solubility of cyclodextrin. CS nanoparticles strengthen the hydrogen bond by hydrogen bonding and van der Waals hydrogen interactions of the hydroxyl cyclodextrin group with the hydroxyl phenolic group of the drug molecule CUR. Modification of the γ-CD complex with CS shows the strongest interaction with CUR. Both CUR complexes are in the CD-CS host system to transfer the charge from the drug to the carrier and the therapeutic agent. CS nanoparticles have the property of targeted delivery systems for anticancer drugs because the CS external field can be used to direct the drug to specific target cells. The γ-CD-CS host system is the best host as a carrier and therapeutic agent for CUR due to its high solubility and strong interaction.
 
 
Farshad Darvishi, Armin Kheirollahi Meidani,
Volume 8, Issue 3 (10-2021)
Abstract

Gamma-decalactone, an intramolecular 4-hydroxydecanoic acid ester, has a peach-like aroma and is widely used in the food and cosmetics industries. The biotechnological production of this compound is possible via biotransformation of castor seed oil by the yeast Yarrowia lipolytica. This study aimed to compare the production of gamma-decalactone by wild-type strain with that in a mutant strain producing lipase in high amounts. It was found that cells with yeast-like morphology produce more gamma-decalactone than hyphae-like cells. The maximum production of gamma-decalactone by wild-type and mutant strains was 65 mg/L after 24h of inoculation and 90 mg/L after 72h of inoculation, respectively. The mutant strain converts 38% more substrate into gamma-decalactone than the wild-type strain, therefore, it could significantly increase the productivity of industrial-scale production of gamma-decalactone.
 

 
Neshat Soosani, Morahem Ashengroph, ,
Volume 8, Issue 3 (10-2021)
Abstract

The biosynthesis of nanoparticles (NPs) has been proposed due to its fast, clean, safe, and cost-effective production and being efficient alternative to conventional physicochemical methods. This study aimed to isolate and identify aquatic yeast strains for their potential to form Zinc oxide nanoparticles (ZnONPs). A yeast strain, NS02, with high tolerance against zinc ion (5.25 mM) was isolated using the enrichment technique and was selected as efficient candidate for the biosynthesis of ZnONPs under cell-free extract (CFE) strategy. The preliminary evaluation on the formation of ZnONPs was performed by visual observation and UV-visible absorption spectra of the biosynthesized ZnONPs. The morphology, size and elemental distribution of the nanoparticles were determined by Field emission scanning electron microscopy (FESEM) equipped with energy-dispersive X-ray (EDX). X-ray diffractometer (XRD) was used to identify the crystalline phase of the ZnONPs. Antibacterial activity of ZnONPs against pathogenic bacteria isolated from the clinical specimens was investigated using agar well diffusion method. The isolate NS02 was characterized based on their morphological properties and amplification the ITS-5.8S-ITS2 rDNA regions. The present study pioneered the capabilities of the native aquatic strain Rhodotorula pacifica for the extracellular synthesis of ZnONPs with CFE strategy. The biosynthesized ZnONPs had a growth inhibitory effect all tested clinical isolates due to their nanometric size and well-defined dispersity. This investigation is attempted to indicate the novel microbial sources of aquatic yeasts as biological plant in the synthesis of ZnONPs with antimicrobial activity under cell-free extract strategy.
 


Morahem Ashengroph, Nastaran Vakili Sohrforouzani,
Volume 9, Issue 3 (12-2022)
Abstract

This study investigated the potential of aquatic bacteria for their ability as a biocatalyst to synthesized Fe2O3 nanoparticles using iron precursor, FeCl3. A total of 25 aquatic bacterial strains were isolated in trypticase soy agar plus 10 mM FeCl3 with selective enrichment technique. Among the bacterial strains evaluated, NV06 was the only strain able to synthesize Fe2O3 nanoparticles extracellularly. The strain NV06 was identified as Alcaligenes sp., on the basis of phenotypic and molecular characteristics. Extracellular synthesis of Fe2O3 nanoparticles by this strain was investigated under the optimal conditions. The biosynthesized Fe2O3 nanoparticles were characterized using UV–visible spectrophotometry (UV-Vis), Scanning electron microscopy (SEM), Energy-dispersive X-ray spectroscopy (EDX), and Fourier transform infrared (FTIR) spectroscopy. The results showed that cell-free extract (CFE) of the bacterium strain can produce the rod-shaped Fe2O3 nanoparticles with mean edge lengths of 80.2 nm and mean diameters of 25.5 nm, after being exposed to FeCl3 solution (10 mM), at an optimum pH of 6 and an optimum temperature of 28 °C, after 96 hours of incubation at 150 rpm. This is the first report on the extracellular biosynthesis of Fe2O3 nanoparticles using the genus of Alcaligenes under the CFE strategy. It could be speculated that the results of the study can hopefully introduce the inherent capabilities of aquatic microbes as safe, simple, and effective biocatalysts in the production of Fe2O3 nanoparticles.
 
Fereshteh Heidargholinezhad, Yousef Hamidoghli, Valliollah Ghasemiomran, Pouria Biparva,
Volume 9, Issue 4 (3-2023)
Abstract

Centella asiatica, is well known to be a valuable medicinal plant for producing valuable compounds such as asiaticoside, asiatic acid, madcasoside and madcasic acid. The plant is believed to improve memory, lower blood pressure, be a strong antioxidant and anticancer. Therefore, it is important to optimize tissue culture methods in order to facilitate the extraction of medicinal compounds, gene transfer as well as improvement of medicinal properties of the plant. Calli prepared from various medicinal plants can be used to increase the amount of medicinal compounds in the cell suspension culture and gene transfer. The aim of this study was to investigate the effect of different concentrations of two hormones, BAP and NAA, on leaf explant for callus initiation, as one of the important sources of secondary metabolites production. For this purpose, leaf explants were treated with 6 different concentrations of BAP (0, 0.5, 1, 1.5, 2.5, 3.5 mg/L) and 5 different concentrations of NAA (0, 0.25, 0.5, 1, 2 mg/L). The results of this study showed that the best callus was obtained by the combination 1.5 mg/L of BAP and 0.5 mg/L of NAA, resulting in the leaf explants with callus induction of 100%, fresh weight of 1.457 gr and callus diameter of 1.459 cm. The results showed that two hormones of BAP and NAA have synergistic effects on the increase of the quality and quantity of the produced calli.

 
Mahdi Alijanianzadeh, Alireza Jalalvand, Rasoul Khalilzadeh, Maryam Abdolirad,
Volume 9, Issue 4 (3-2023)
Abstract

S-layer proteins of Deinococcus radiodurans are the best self-assemble systems among other proteins that have an essential role in the fabrication of nanowires. Therefore, the purification of these proteins is necessary. The purpose of this research was to optimize the purification of s-layer protein from D. radiodurans with the response surface method. The three factors of SDS concentration, incubation time and mass percent in five levels were considered, and 20 runs were designed by Design-Expert software with a central composite method. Each run includes microbe culture, mass cell preparation, microbe incubation in specific SDS concentration and time and mass percent, separation of the bacteria from detergent with a centrifuge at 5000g, sedimentation of s-layer proteins from detergent solution with a centrifuge at 20000g, determination of protein concentration, and protein purity by Bradford and SDS-PAGE methods, respectively. Finally, the data obtained were analyzed.  Analysis of the results demonstrated that at the 95% confidence level, the effect of the detergent concentration factor on the purified protein percent was more than other factors. The optimization results of factors are 5.64% SDS concentration, 7.33% mass percent, and 3 hours incubation time. At optimized conditions the protein concentration and purity percent were obtained 0.584 mg/ml and 47.61% respectively.

 
Azadeh Niknejad, Alireza Shafizadeh Esfandabadi, Fatemeh Abdollahi Sarvestani,
Volume 10, Issue 1 (6-2023)
Abstract

The emergence of new viruses has always been a threat to the health of people around the world, the latest example of it is the new strains of the coronavirus (SARS-CoV-2) and the resulting acute respiratory distress syndrome (ARDS). The current situation underscores the importance of rapidly producing low-cost stable vaccines that do not require refrigeration equipment for storage and transportation. However, most vaccines are not yet available in developing countries due to import costs and storage and transportation needs. Therefore, the vaccine must be affordable for developing countries so that vaccination can be carried out on a large scale. Herbal vaccines are more cost-effective than other types of vaccines and production methods and can be produced in large quantities. In addition, herbal vaccines have other benefits that are discussed in this article. However, given that an herbal medicinal product is to be used as a vaccine in a semi-processed form (such as mashed potatoes or tomato paste), specific regulatory reviews must apply to injectable vaccines. Products should also be applied to evaluate their side effects clinically. The current review article investigates the opportunities and challenges of producing plant-based vaccines to deal with diseases like Coronavirus disease (COVID-19(.


 
Mostafa Hosseinpour, Mohammad Mohammadi, Gholam Reza Ghezelbash,
Volume 10, Issue 3 (12-2023)
Abstract

Biological cementation is a new process in which urea hydrolysis bacteria or free urease enzyme decompose urea and increases the pH of the environment and chemical interactions in the presence of calcium ions to form calcite. Nowadays, nano-calcite is widely used in engineering, such as increasing the strength of soil and concrete, as well as in medicine, such as drug delivery and cancer treatment. This study aimed to investigate the laboratory conditions for producing nano-calcite particles with appropriate quality, size and purity by Sporosarcina pasteurii enzyme extract for use in medical and engineering studies. This investigation aimed to make calcite by S. pasteurii enzyme extract and optimize influential factors in calcite production. For this purpose, the bacterium S. pasteurii was cultured in nutrient broth containing urea and nickel, and upon reaching the appropriate time, the cells were separated and washed. Then, their enzyme extract was prepared by sonication, and calcite precipitation was studied in different amounts of urea, calcium chloride, enzyme and temperature. The quality of produced calcite crystals and their ratio compared to other crystals were investigated by XRD and SEM analyses. According to the results of XRD analysis, it was found that in 0.5 M urea and 0.25 M calcium chloride, the highest amount of calcite is produced with 96%, and the least side products are produced. Examining the particle size histogram in the sample containing 0.5 M urea and 0.25 M calcium chloride revealed that the range of particles were between 50 and 100 nm. The nature and type of crystals were studied by electron microscopy, and EDX analysis showed the presence of calcium, oxygen, and carbon. According to the results, it was found that by the increase of the concentrations of urea and calcium, the range of particle size became larger. Also, the percentage of calcite produced in low urea and calcium chloride concentrations is higher than those in high concentrations.

Dr Seyed Reza Hashemi, Eng Negin Akhondpor, Dr Ayoub Farhadi, Eng Elnaz Arabiyan,
Volume 10, Issue 4 (3-2024)
Abstract

The aim of this study was to investigate the effective genes on apoptosis (BAX and Bcl2) in liver and intestinal cells of broiler chickens fed silver nanoparticles coated on clinoptilolite under acute heat stress induction. 450 d old broiler chicks (Cobb 500) were used in five treatments and six repetitions, and 15 pieces were used in each experimental unit in the form of a completely random design. Experimental diets were: 1) control or basal diet 2) basal diet supplemented by 1% clinoptilolite 3) basal diet supplemented by 1% clinoptilolite coated with 0.5% nanosilver 4) basal diet supplemented by 0.15% organic acid and  5) basal diet supplemented by 1% clinoptilolite coated with 0.5% nanosilver and 0.15% organic acid. Silver nanoparticles coated on clinoptilolite were investigated using XRF and FTIR techniques. In order to induce heat stress, the birds were affected by heat stress for one week in the last week of the breeding period, and on the last day of the stress, liver and intestine samples were obtained to check gene expression. The results of this experiment show that the treatments of clinoptilolite and silver nanoparticles coated on clinoptilolite have an increasing effect on the expression of Bcl2 and Bax, while this effect was not seen in the organic acid treatment. In conclusion, it could be said that if silver nanoparticles are used in feeding livestock and poultry, it is better to use organic acid supplements to reduce the side effects of silver nanoparticles.
 
Miss. Hanieh Ghandchi, Mrs. Reihaneh Ramezani, Mrs. Zahra Moosavinejad,
Volume 10, Issue 4 (3-2024)
Abstract

Recently, milk exosomes have attracted much attention from researchers due to their availability and efficiency in cosmetic products and also as drug delivery nanocarriers. Since it is very important to find a simple and efficient method to purify these vesicles, in this research some methods of exosome isolation from bovine milk such as ultracentrifugation, using PEG polymer and several commercial kits were discussed and characterized. Detection of exosomes has been done using DLS and electron microscopy.
In ultracentrifugation, as the most common method of exosome isolation, the number of particles in the electron microscope images was estimated to be very low (5 ± 2 particles), while in the microscopic images of the Exosun kit, a large number of exosomes (150 ± 30 particles) was visible. In PEG precipitation, the average diameter of the particles in DLS results was 263 nm and more than the ultracentrifugation, Exocib and Anaexo kit, where the diameter of the particles was 176 nm, 142 nm, and 123 nm, respectively. The average diameter of the particles in the microscopic images of the Exosun kit was 30-70±10 nm, and DLS results confirmed the small size of the isolated particles. Considering the large number of small particles ( 30nm) in the microscopic results of the exosun kit, other methods may not have been able to isolate these small particles. Finally, although all the studied methods were able to isolate exosome from milk, more extensive studies are necessary to make a more accurate comparison and to introduce a standard method for isolating exosome from bovine's milk.

 
Bahare Asgari, Dr Ali Mohammadi, Dr Bahare Attaran,
Volume 11, Issue 1 (6-2024)
Abstract

The aim of the present work was to produce a stable nanoemulsion containing clove (Syzygium aromaticum) essential oil (PCLO) and evaluate its antimicrobial activity. The effect of the preparation technique, the type of surfactant and the ratio of surfactant to oil was evaluated to optimize the preparation formula of oil-in-water nanoemulsion. The optimized formula prepared by low energy production method containing 4% w/w PCLO and 12% w/w mixed surfactant (SDS + Tween 80) produced a clear and stable nanoemulsion for 90 days with an average particle diameter below 150 nm. The antibacterial activity of pure PCLO and its nanoemulsions (NCLO) was investigated by disk diffusion, agar well, and broth methods in 3 indicator bacteria of gastrointestinal infections, Escherichia coli, Staphylococcus aureus, and Salmonella typhimurium. Minimum inhibitory concentration (MIC) and bacteriocidal concentration (MBC) as well as dynamic killing time were determined in the tested bacteria. Strong antibacterial activity of PCLO and NCLO was revealed in the concentration range of 1000-2000 ppm. The killing kinetics study showed that during the first 15 minutes of exposure to NCLO at the MIC concentration, there was a rapid and extensive reduction in the amount of viable microorganisms. The presented data, considering the optimal performance of antimicrobial substances in food, cosmetics and chemical industries, can help in the rational design of nanoemulsion-based essential oil delivery systems.
 
Dr Nader Chaparzadeh, Dr Leila Zarandi-Miandoab, - Mina Ali-Pashaei Dehkhargani,
Volume 11, Issue 1 (6-2024)
Abstract

Texture quality is an important factor in evaluating of fruits. The cut surfaces of the apple fruit turn brown because of the oxidation of phenolic compounds, triggered by polyphenol oxidase enzyme. Preventing the oxidation of phenolic substances and changing color of fruit are very important in the food industry. Due to the adverse effects of chemical additives on human health and increasing consumer preference for natural alternative compounds makes an interesting market for natural plant ingredients. This study was conducted to investigate the effect of some chemical and natural compounds including sodium metabisulfite, and citric acid, aromatic waters (sweats) of chicory, licorice and lemongrass on polyphenol oxidase enzyme activity of apple fruits. The activity of polyphenol oxidase was evaluated spectrophotometrically using pyrogallol as substrate. The optimum temperature and pH values were 32 °C and 7, respectively. It was found that the enzyme activity decreased due to use of natural compounds, sodium metabisulfite and citric acid. In conclusion, polyphenol oxidase activity can be reduced to prevent of fruits browning by using suitable natural compounds instead of chemicals.
Mr Ali Alimoradi, Dr Jamileh Salaramoli, Dr Mahsa Daneshmand, Dr Raham Armand,
Volume 11, Issue 1 (6-2024)
Abstract

Calyx of eggplant is recognized as agricultural byproducts containing significant levels of phenolic, flavonoid, and anthocyanin compounds that facilitate the reduction of silver ions, enabling the eco-friendly production of silver oxide nanoparticles through a green synthesis approach. The utilization of silver oxide nanoparticles has garnered considerable interest in various industries due to their versatile applications and environmentally sustainable nature. Various analytical techniques such as ultraviolet- visible spectrophotometry, X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, and dynamic light scattering were employed to confirm the formation of silver oxide nanoparticles and characterize their properties. The antioxidant, antibacterial, and antifungal activities of the silver oxide nanoparticles and the aqueous extract of calyx of eggplant were evaluated through assays including 1,1-diphenyl-2-picrylhydrazyl radical scavenging, 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) radical inhibition, disc diffusion, minimum inhibitory concentration and minimum bactericidal concentration. The absorption peak at 422 nm confirmed the presence of silver oxide nanoparticles, with a particle size of approximately 140 nm determined by DLS analysis and a spherical shape observed through SEM imaging. The biological activities of the silver oxide nanoparticles, including their antioxidant properties and antimicrobial effects were found to be superior to those of the aqueous calyx of eggplant extract.
 
Hanieh Sabaghian, Mehdi Yoosefian,
Volume 11, Issue 2 (8-2024)
Abstract

ایدز (سندروم نقص ایمنی اکتسابی) یک وضعیت شدید و پیشرفته از عفونت ویروس نقص ایمنی انسانی (HIV) است که باعث ضعف سیستم ایمنی بدن می‌شود و برای عفونت‌های فرصت طلب و برخی از انواع سرطان‌ها پیش‌زمینه فراهم می‌کند. چرخه حیاتی HIV  شامل چندین آنزیم است که در تکثیر ویروس نقش دارند. یکی از این آنزیم‌ها، ترانس کریپتاز معکوس نام دارد. برای مدیریت بهتر درمان، معمولاً از ترکیبات درمانی مانند HAART استفاده می‌شود که از ترکیب چندین دارو تشکیل شده است تا بهبود اثربخشی درمان و کاهش مقاومت دارویی را فراهم آورد. در این مطالعه، با هدف ارزیابی داروهای نویراپین، رالتگراویر، ایندیناویر و کاندید‌های دارویی جدید در مهار آنزیم ترانس کریپتاز معکوس، ابتدا ساختارهای دارویی به روش‌های محاسباتی B3LYP و مجموعه پایه‌ی 6-311G بهینه‌سازی شدند و پارامترهای ترمودینامیکی مرتبط با آن‌ها محاسبه گردید. همه ترکیبات از مجموعه داده و ترکیبات طراحی‌شده برای پیش‌بینی ADMET استفاده شدند تا ویژگی‌های آن‌ها بررسی شود و همچنین برای ارزیابی داروهای بالقوه استفاده گردد. در پایان، با استفاده از شبیه‌سازی‌های داکینگ مولکولی، اثر مهارکنندگی نویراپین، رالتگراویر، ایندیناویر و کاندید‌های دارویی جدیدNVP2، RAL2 وIND2  با بهترین انرژی بایندینگ -9.34، -11.28 و -9.30  بر آنزیم ترانس کریپتاز معکوس مورد ارزیابی قرار گرفت. تحلیل‌های انجام‌شده در طول شبیه‌سازی نشان داد که ترکیبات NVP2، RAL2 وIND2  به خوبی در مهار آنزیم ترانس کریپتاز معکوس ویروس HIV-1 عمل می‌کنند.
 

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