Phytofabrication of Silver Nanoparticles Using Trigonella foenum-graceum L. Leaf and Evaluation of Its Antimicrobial and Antioxidant Activities.

Silver nanoparticles (AgNPs) were fabricated using Trigonella foenum-graceum L. leaf extract, belonging to the variety HM 425, as leaf extracts are a rich source of phytochemicals such as polyphenols, flavonoids, and sugars, which function as reducing, stabilizing, and capping agents in the reduction of silver ions to AgNPs. These phytochemicals were quantitatively determined in leaf extracts, and then, their ability to mediate AgNP biosynthesis was assessed. The optical, structural, and morphological properties of as-synthesized AgNPs were characterized using UV-visible spectroscopy, a particle size analyzer (PSA), FESEM (field emission scanning electron microscopy), HRTEM (high-resolution transmission electron microscopy), and FTIR (Fourier transform infrared spectroscopy). HRTEM analysis demonstrated the formation of spherically shaped AgNPs with a diameter of 4-22 nm. By using the well diffusion method, the antimicrobial potency of AgNPs and leaf extract was evaluated against microbial strains of Staphylococcus aureus, Xanthomonas spp., Macrophomina phaseolina, and Fusarium oxysporum. AgNPs showed significant antioxidant efficacy with IC50 = 426.25 µg/mL in comparison to leaf extract with IC50 = 432.50 µg/mL against 2,2-diphenyl-1-picrylhydrazyl (DPPH). The AgNPs (64.36 mg AAE/g) demonstrated greater total antioxidant capacity using the phosphomolybdneum assay compared to the aqueous leaf extract (55.61 mg AAE/g) at a concentration of 1100 µg/mL. Based on these findings, AgNPs may indeed be useful for biomedical applications and drug delivery systems in the future.

Biosynthesis of Silver Nanoparticles Utilizing Leaf Extract of Trigonella foenum-graecum L. for Catalytic Dyes Degradation and Colorimetric Sensing of Fe3+/Hg2.

The aqueous Trigonella foenum-graecum L. leaf extract belonging to variety HM 444 was used as reducing agent for silver nanoparticles (AgNPs) synthesis. UV-Visible spectroscopy, Particle size analyser (PSA), Field emission scanning electron microscopy coupled to energy dispersive X-ray spectroscopy (FESEM-EDX) and High-resolution transmission electron microscopy (HRTEM) were used to characterize AgNPs. Selected area electron diffraction (SAED) confirmed the formation of metallic Ag. Fourier Transform Infrared Spectroscopy (FTIR) was done to find out the possible phytochemicals responsible for stabilization and capping of the AgNPs. The produced AgNPs had an average particle size of 21 nm, were spherical in shape, and monodispersed. It showed catalytic degradation of Methylene blue (96.57%, 0.1665 ± 0.03 min-1), Methyl orange (71.45%, 0.1054 ± 0.002 min-1), and Rhodamine B (92.72%, 0.2004 ± 0.01 min-1). The produced AgNPs were excellent solid bio-based sensors because they were very sensitive to Hg2+ and Fe3+ metal ions with a detection limit of 11.17 µM and 195.24 µM, respectively. From the results obtained, it was suggested that aqueous leaf extract demonstrated a versatile and cost-effective method and should be utilized in future as green technology for the fabrication of nanoparticles.

Mycorrhizae Helper Bacteria: Unlocking Their Potential as Bioenhancers of Plant-Arbuscular Mycorrhizal Fungal Associations.

The dynamic interactions of plants and arbuscular mycorrhizal fungi (AMF) that facilitate the efficient uptake of minerals from soil and provide protection from various environmental stresses (biotic and abiotic) are now also attributed to a third component of the symbiosis. These are the less investigated mycorrhizae helper bacteria (MHB), which constitute a dense, active bacterial community, tightly associated with AMF, and involved in the development and functioning of AMF. Although AMF spores are known to host several bacteria in their spore walls and cytoplasm, their role in promoting the ecological fitness and establishment of AMF symbiosis by influencing spore germination, mycelial growth, root colonization, metabolic diversity, and biocontrol of soil borne diseases is now being deciphered. MHB also promote the functioning of arbuscular mycorrhizal symbiosis by triggering various plant growth factors, leading to better availability of nutrients in the soil and uptake by plants. In order to develop strategies to promote mycorrhization by AMF, and particularly to stimulate the ability to utilize phosphorus from the soil, there is a need to decipher crucial metabolic signalling pathways of MHB and elucidate their functional significance as mycorrhiza helper bacteria. MHB, also referred to as AMF bioenhancers, also improve agronomic efficiency and formulations using AMF along with enriched population of MHB are a promising option. This review covers the aspects related to the specificity and mechanisms of action of MHB, which positively impact the formation and functioning of AMF in mycorrhizal symbiosis, and the need to advocate MHB as AMF bioenhancers towards their inclusion in integrated nutrient management practices in sustainable agriculture.

Biosurfactant production prospects of a Gram-negative bacterium-Klebsiella pneumoniae ssp. ozaenae BK34.

Increasing environmental concerns have brought natural surfactant produced by microorganisms into limelight due to their lesser toxicity, biodegradable nature, and retention of activity at extreme conditions. In the present investigation, the surfactant production perspective of capsulated Gram-negative bacilli Klebsiella pneumoniae ssp. ozaenae BK34 was explored. It was identified on the basis of PCR amplification of conserved region of 16SrRNA using species specific primers. Highest oil displacement and emulsification (E24) index of 6.8 cm and 20% along with 4.38-fold increase in biomass were attained using olive oil (2% (v/v)) as substrate. Incorporation of urea at 0.5% (w/v) concentration increased the oil displacement, E24 index, and drop diameter to 9.2 cm, 77.50%, and 0.80 cm, respectively, accompanied by 5.38-fold increase in biomass production. Biosurfactant level was recorded maximum at 30 °C as apparent from the oil displacement of 9.3 cm and E24 index of 75%. Reduction in incubation temperature to 25 °C abated oil displacement (5.2 cm) and E24 index (17.66%). Biosurfactant production was also appeared to be pH sensitive as shifting pH from 7.0 to 6.0 or 8.0 reduced the E24 index from 75 to 35% and 25%, respectively. Inoculum of stationary phase bacterial biomass at the proportion of 0.05% (w/v) was found adequate in triggering maximum biosurfactant production while the log phase biomass delayed the production significantly. Acid precipitation method was able to yield 7 g/L biosurfactant at pH 2. The surfactant was allocated to glycolipopeptide class on the basis of FTIR spectroscopy.

Process parameters for biosurfactant production using yeast Meyerozyma guilliermondii YK32.

Microbially produced biosurfactants are fast catching up due to their environment-friendly approach over chemical surfactants. But their commercial production is restricted due to poor economy of the production process which could be improved by using high yielding microbial strains and optimizing the process parameters. The present research was directed to optimize the biosurfactant production monitored in terms of oil displacement and emulsification (E24) index, using a promising yeast Meyerozyma guilliermondii YK32. Maximum oil displacement equaling 7.5 cm was obtained with olive oil at 8% (v/v) concentration as carbon source under shaking conditions (150 rpm). Diesel being a complex hydrocarbon was not utilized easily by yeast and showed poor biosurfactant production. Yeast extract at 1.5% (w/v) concentration yielded maximum biosurfactant as evident from maximum oil displacement and E24 index equal to 8.1 cm and 52.6%, respectively. Sodium chloride at the rate of 3% (w/v) supported maximum oil displacement (8.8 cm) using the production broth containing optimized carbon and nitrogen sources. Any increase beyond this level negatively influenced the biosurfactant production. The yield was at its maximum at 30 °C as a shift in temperature either to 35 °C or 25 °C decreased the oil displacement from 8.8 to 5.2 or 7.6 cm, respectively. At 40 °C, oil displacement was decreased to 2.5 cm. Biosurfactant production appeared to be sensitive to varying pH as evident from the E24 index as high as 67.3% at pH 6.0 as compared with 60.2%, 60.1%, and 52.4% at pH 5.0, 5.5, and 7.0, respectively. Yeast biomass yield equivalent to 10.3 g/L and 8.3 g/L was recorded at pH 6 and 7, respectively, during the production process. Elimination of shaking reduced the E24 index from 67.3 to 34.8% under optimized conditions.

Biosurfactant production by yeasts isolated from hydrocarbon polluted environments.

Thirty-two yeast isolates were retrieved from four soil samples collected from hydrocarbon-polluted locations of Hisar, Haryana, using enrichment culture technique with 1% (v/v) diesel as carbon source. Total nine isolates showing blood agar haemolysis were screened further for biosurfactant production. Yeast isolate, YK32, gave highest 8.4-cm oil displacement which was found to be significantly higher as compared to positive control, 0.2% (w/v) SDS (6.6 cm), followed by 6.2 and 6.0 cm by isolates YK20 and YK21, respectively. Maximum emulsification index was obtained in case of isolates YK20 and YK21 measuring 53.8%, after 6 days of incubation utilizing glucose as carbon source, whereas isolate YK32 was found to be reducing surface tension up to 93 dynes/cm and presented 99.6% degree of hydrophobicity. Olive oil has supported maximum surface tension reduction in isolates YK32 and YK21 equivalent to 53 and 48 dynes/cm and gave 88.3 and 88.5% degree of hydrophobicity, respectively. Diesel was not preferred as carbon source by most of the isolates except YK28 which generated 5.5-cm oil displacement, 25% emulsification index, reduced surface tension to the level of 38 dynes/cm and presented 89% degree of hydrophobicity. Conclusively, isolates YK20, YK21, YK22 and YK32 were marked as promising biosurfactant producers and were subjected to identification. Based on microscopic examination and biochemical peculiarities, isolates YK21 and YK22 might be identified as Candida spp., whereas, isolates YK20 and YK32 might be identified as Saccharomycopsis spp. and Brettanomyces spp., respectively. Interestingly it is the first report indicating Saccharomycopsis spp. and Brettanomyces spp. as a potential biosurfactant producer.

Triple-zero tillage and system intensification lead to enhanced productivity, micronutrient biofortification and moisture-stress tolerance ability in chickpea in a pearlmillet-chickpea cropping system of semi-arid climate.

Pearlmillet-chickpea cropping system (PCCS) is emerging as an important sequence in semi-arid regions of south-Asia owing to less water-requirement. However, chickpea (dry-season crop) faces comparatively acute soil moisture-deficit over pearlmillet (wet-season crop), limiting overall sustainability of PCCS. Hence, moisture-management (specifically in chickpea) and system intensification is highly essential for sustaining the PCCS in holistic manner. Since, conservation agriculture (CA) has emerged is an important climate-smart strategy to combat moisture-stress alongwith other production-vulnerabilities. Hence, current study comprised of three tillage systems in main-plots viz., Complete-CA with residue retention (CAc), Partial-CA without residue-retention (CAp), and Conventional-tillage (ConvTill) under three cropping systems in sub-plots viz., conventionally grown pearlmillet-chickpea cropping system (PCCS) alongwith two intensified systems i.e. pearlmillet-chickpea-fodder pearlmillet cropping system (PCFCS) and pearlmillet-chickpea-mungbean cropping system (PCMCS) in split-plot design. The investigation outcomes mainly focused on chickpea (dry-season crop) revealed that, on an average, there was a significant increase in chickpea grain yield under CAc to the tune of 27, 23.5 and 28.5% under PCCS, PCFCS and PCMCS, respectively over ConvTill. NPK uptake and micronutrient (Fe and Zn) biofortification in chickpea grains were again significantly higher under triple zero-tilled CAc plots with residue-retention; which was followed by triple zero-tilled CAp plots without residue-retention and the ConvTill plots. Likewise, CAc under PCMCS led to an increase in relative leaf water (RLW) content in chickpea by ~ 20.8% over ConvTill under PCCS, hence, ameliorating the moisture-stress effects. Interestingly, CA-management and system-intensification significantly enhanced the plant biochemical properties in chickpea viz., super-oxide dismutase, ascorbate peroxidase, catalase and glutathione reductase; thus, indicating their prime role in inducing moisture-stress tolerance ability in moisture-starved chickpea. Triple zero-tilled CAc plots also reduced the N2O fluxes in chickpea but with slightly higher CO2 emissions, however, curtailed the net GHG-emissions. Triple zero-tilled cropping systems (PCFCS and PCMCS) both under CAc and Cap led to a significant improvement in soil microbial population and soil enzymes activities (alkaline phosphatase, fluorescein diacetate, dehydrogenase). Overall, the PCCS system-intensification with mungbean (PCMCS) alongwith triple zero-tillage with residue-retention (CAc) may amply enhance the productivity, micronutrient biofortification and moisture-stress tolerance ability in chickpea besides propelling the ecological benefits under semi-arid agro-ecologies. However, the farmers should preserve a balance while adopting CAc or CAp where livestock equally competes for quality fodder.

High-value crops' embedded groundnut-based production systems vis-à-vis system-mode integrated nutrient management: long-term impacts on system productivity, system profitability, and soil bio-fertility indicators in semi-arid climate.

The current study identified two new climate-resilient groundnut-based cropping systems (GBCSs), viz., groundnut-fenugreek cropping system (GFCS) and groundnut-marigold cropping system (GMCS), with appropriate system-mode bio-compost embedded nutrient management schedules (SBINMSs) for semi-arid South Asia. This 5-year field study revealed that the GMCS along with leaf compost (LC) + 50% recommended dose of fertilizers (RDF50) in wet-season crop (groundnut) and 100% RDF (RDF100) in winter-season crop (marigold) exhibited the highest system productivity (5.13-5.99 t/ha), system profits (US$ 1,767-2,688/ha), and soil fertility (available NPK). Among SBINMSs, the application of 5 t/ha leaf and cow dung mixture compost (LCMC) with RDF50 showed the highest increase (0.41%) in soil organic carbon (SOC) followed by LC at 5 t/ha with RDF50 and RDF100. Legume-legume rotation (GFCS) had significantly higher soil microbial biomass carbon (SMBC) and soil microbial biomass nitrogen (SMBN) than legume-non-legume rotations (groundnut-wheat cropping system (GWCS) and GMCS). Among SBINMSs, the highest SMBC (201 µg/g dry soil) and SMBN (27.9 µg/g dry soil) were obtained when LCMC+RDF50 was applied to groundnut. The SMBC : SMBN ratio was the highest in the GWCS. LC+RDF50 exhibited the highest SMBC : SOC ratio (51.6). The largest increase in soil enzymatic activities was observed under LCMC+RDF50. Overall, the GMCS with LC+RDF50 in the wet season and RDF100 in the winter season proved highly productive and remunerative with better soil bio-fertility. SBINMSs saved chemical fertilizers by ~25%' in addition to enhanced system productivity and system profits across GBCSs in semi-arid regions of South Asia. Future research needs to focus on studying the potential of diversified production systems on water and environmental footprints, carbon dynamics, and energy productivity under semi-arid ecologies.

Elucidating the interactive impact of tillage, residue retention and system intensification on pearl millet yield stability and biofortification under rainfed agro-ecosystems.

Micronutrient malnutrition and suboptimal yields pose significant challenges in rainfed cropping systems worldwide. To address these issues, the implementation of climate-smart management strategies such as conservation agriculture (CA) and system intensification of millet cropping systems is crucial. In this study, we investigated the effects of different system intensification options, residue management, and contrasting tillage practices on pearl millet yield stability, biofortification, and the fatty acid profile of the pearl millet. ZT systems with intercropping of legumes (cluster bean, cowpea, and chickpea) significantly increased productivity (7-12.5%), micronutrient biofortification [Fe (12.5%), Zn (4.9-12.2%), Mn (3.1-6.7%), and Cu (8.3-16.7%)], protein content (2.2-9.9%), oil content (1.3%), and fatty acid profile of pearl millet grains compared to conventional tillage (CT)-based systems with sole cropping. The interactive effect of tillage, residue retention, and system intensification analyzed using GGE statistical analysis revealed that the best combination for achieving stable yields and micronutrient fortification was residue retention in both (wet and dry) seasons coupled with a ZT pearl millet + cowpea-mustard (both with and without barley intercropping) system. In conclusion, ZT combined with residue recycling and legume intercropping can be recommended as an effective approach to achieve stable yield levels and enhance the biofortification of pearl millet in rainfed agroecosystems of South Asia.

Seed Germination Ecology of Chenopodium album and Chenopodium murale.

Chenopodium album L. and Chenopodium murale L. are two principal weed species, causing substantial damage to numerous winter crops across the globe. For sustainable and resource-efficient management strategies, it is important to understand weeds' germination behaviour under diverse conditions. For the germination investigations, seeds of both species were incubated for 15 days under different temperatures (10−30 °C), salinity (0−260 mM NaCl), osmotic stress (0−1 MPa), pH (4−10), and heating magnitudes (50−200 °C). The results indicate that the germination rates of C. album and C. murale were 54−95% and 63−97%, respectively, under a temperature range of 10 to 30 °C. The salinity levels for a 50% reduction in the maximum germination (GR50) for C. album and C. murale were 139.9 and 146.3 mM NaCl, respectively. Regarding osmotic stress levels, the GR50 values for C. album and C. murale were 0.44 and 0.43 MPa, respectively. The two species showed >95% germination with exposure to an initial temperature of 75 °C for 5 min; however, seeds exposed to 100 °C and higher temperatures did not show any germination. Furthermore, a drastic reduction in germination was observed when the pH was less than 6.0 and greater than 8.0. The study generated information on the germination biology of two major weed species under diverse ecological scenarios, which may be useful in developing efficient weed management tactics for similar species in future agri-food systems.

Yield optimization, microbial load analysis, and sensory evaluation of mungbean (Vigna radiata L.), lentil (Lens culinaris subsp. culinaris), and Indian mustard (Brassica juncea L.) microgreens grown under greenhouse conditions.

Microgreens have been used for raw consumption and are generally viewed as healthy food. This study aimed to optimize the yield parameters, shelf life, sensory evaluation and characterization of total aerobic bacteria (TAB), yeast and mold (Y&M), Escherichia coli, Salmonella spp., and Listeria spp. incidence in mungbean (Vigna radiata (L.) Wilczek), lentil (Lens culinaris Medikus subsp. culinaris), and Indian mustard (Brassica juncea (L.) Czern & Coss.) microgreens. In mungbean and lentil, seeding-density of three seed/cm2, while in Indian mustard, eight seed/cm2 were recorded as optimum. The optimal time to harvest mungbean, Indian mustard, and lentil microgreens were found as 7th, 8th, and 9th day after sowing, respectively. Interestingly, seed size was found highly correlated with the overall yield in both mungbeans (r2 = .73) and lentils (r2 = .78), whereas no such relationship has been recorded for Indian mustard microgreens. The target pathogenic bacteria such as Salmonella spp. and Listeria spp. were not detected; while TAB, Y&M, Shigella spp., and E. coli were recorded well within the limit to cause any human illness in the studied microgreens. Washing with double distilled water for two minutes has shown some reduction in the overall microbial load of these microgreens. The results provided evidence that microgreens if grown and stored properly, are generally safe for human consumption. This is the first study from India on the safety of mungbean, lentils, and Indian mustard microgreens.

Double zero tillage and foliar phosphorus fertilization coupled with microbial inoculants enhance maize productivity and quality in a maize-wheat rotation.

Maize is an important industrial crop where yield and quality enhancement both assume greater importance. Clean production technologies like conservation agriculture and integrated nutrient management hold the key to enhance productivity and quality besides improving soil health and environment. Hence, maize productivity and quality were assessed under a maize-wheat cropping system (MWCS) using four crop-establishment and tillage management practices [FBCT-FBCT (Flat bed-conventional tillage both in maize and wheat); RBCT-RBZT (Raised bed-CT in maize and raised bed-zero tillage in wheat); FBZT-FBZT (FBZT both in maize and wheat); PRBZT-PRBZT (Permanent raised bed-ZT both in maize and wheat], and five P-fertilization practices [P100 (100% soil applied-P); P50 + 2FSP (50% soil applied-P + 2 foliar-sprays of P through 2% DAP both in maize and wheat); P50 + PSB + AM-fungi; P50 + PSB + AMF + 2FSP; and P0 (100% NK with no-P)] in split-plot design replicated-thrice. Double zero-tilled PRBZT-PRBZT system significantly enhanced the maize grain, starch, protein and oil yield by 13.1-19% over conventional FBCT-FBCT. P50 + PSB + AMF + 2FSP, integrating soil applied-P, microbial-inoculants and foliar-P, had significantly higher grain, starch, protein and oil yield by 12.5-17.2% over P100 besides saving 34.7% fertilizer-P both in maize and on cropping-system basis. P50 + PSB + AMF + 2FSP again had significantly higher starch, lysine and tryptophan content by 4.6-10.4% over P100 due to sustained and synchronized P-bioavailability. Higher amylose content (24.1%) was observed in grains under P50 + PSB + AMF + 2FSP, a beneficial trait due to its lower glycemic-index highly required for diabetic patients, where current COVID-19 pandemic further necessitated the use of such dietary ingredients. Double zero-tilled PRBZT-PRBZT reported greater MUFA (oleic acid, 37.1%), MUFA: PUFA ratio and P/S index with 6.9% higher P/S index in corn-oil (an oil quality parameter highly required for heart-health) over RBCT-RBCT. MUFA, MUFA: PUFA ratio and P/S index were also higher under P50 + PSB + AMF + 2FSP; avowing the obvious role of foliar-P and microbial-inoculants in influencing maize fatty acid composition. Overall, double zero-tilled PRBZT-PRBZT with crop residue retention at 6 t/ha per year along with P50 + PSB + AMF + 2FSP while saving 34.7% fertilizer-P in MWCS, may prove beneficial in enhancing maize productivity and quality so as to reinforce the food and nutritional security besides boosting food, corn-oil and starch industry in south-Asia and collateral arid agro-ecologies across the globe.

Nanotechnology for Sustainable Agriculture: An Emerging Perspective.

The realm of agriculture has to confront an expansive gamut of challenges including climatic change, stagnant crop yield and the increasing resistance against pesticides. The explicit usage of agrochemicals along with the introduction of high yielding varieties and genetically modified seeds has already directed the agricultural systems towards a state of saturation in production. Therefore, the increasing need of sustainability demands the involvement of advanced nanotechnological approaches for enhancing crop productivity. Enhanced solubility, absorption and target specificity of nannofertilizers prepared using materials like silver, copper, gold and oxides of zinc and iron could address some of nutritional challenges. Nanopesticides such as chitosan loaded with spino sad, silica encapsulating fipronil and sodium alginate enclosing imidacloprid find applications in pest control while fluorescence nanosensor, carbon and graphene nanodots are exploited in herbicide and heavy metal detection. Nanofilteration involving grapheme, cellulose and cyclodextrin for removal of salt, heavy metals and organic pollutants, respectively, could significantly improve quality of hard and waste water making it suitable for irrigation.

Diversity in Phytochemical Composition, Antioxidant Capacities, and Nutrient Contents Among Mungbean and Lentil Microgreens When Grown at Plain-Altitude Region (Delhi) and High-Altitude Region (Leh-Ladakh), India.

Mungbeans and lentils are relatively easily grown and cheaper sources of microgreens, but their phytonutrient diversity is not yet deeply explored. In this study, 20 diverse genotypes each of mungbean and lentil were grown as microgreens under plain-altitude (Delhi) and high-altitude (Leh) conditions, which showed significant genotypic variations for ascorbic acid, tocopherol, carotenoids, flavonoid, total phenolics, DPPH (1, 1-diphenyl-2-picrylhydrazyl), FRAP (ferric-reducing antioxidant power), peroxide activity, proteins, enzymes (peroxidase and catalase), micronutrients, and macronutrients contents. The lentil and mungbean genotypes L830 and MH810, respectively, were found superior for most of the studied parameters over other studied genotypes. Interestingly, for most of the studied parameters, Leh-grown microgreens were found superior to the Delhi-grown microgreens, which could be due to unique environmental conditions of Leh, especially wide temperature amplitude, photosynthetically active radiation (PAR), and UV-B content. In mungbean microgreens, total phenolics content (TPC) was found positively correlated with FRAP and DPPH, while in lentil microgreens, total flavonoid content (TFC) was found positively correlated with DPPH. The most abundant elements recorded were in the order of K, P, and Ca in mungbean microgreens; and K, Ca, and P in the lentil microgreens. In addition, these Fabaceae microgreens may help in the nutritional security of the population residing in the high-altitude regions of Ladakh, especially during winter months when this region remains landlocked due to heavy snowfall.

Protein modeling and active site binding mode interactions of myrosinase-sinigrin in Brassica juncea--an in silico approach.

Myrosinase, the only known S-glycosidase, occurs particularly in Cruciferae family. It is responsible for the hydrolysis of glucosinolates and serves as a vital element of plant defense system. The biological and chemical properties of myrosinase catalyzed products of glucosinolates are well characterized. The myrosinase-protein-sequence of Brassica juncea was retrieved from NCBI database and its 3-D model was generated on the basis of crystal structure of 1MYR-A, 1E4M-M and 1DWA-M chains of myrosinase from Sinapis alba by employing Modeller9v7 program. Homolog templates from S. alba exhibited 72% identity with target sequence. The model was optimized by using molecular dynamics (MD) approach together with simulated annealing (SA) methods in the same Modeller program, and eventually verified and validated on SAVES (Structure Analysis and Verification Server) and PROCHECK programs, respectively. Ramachandran plot obtained through PROCHECK program depicted that 99.8% of total residues were confined to the allowed region while only one residue (Thr92) was restrained to the disallowed region. Additionally, B. juncea myrosinase contains three disulphide bridges which were found to be conserved in S. alba homologs as well. Further, overlapping of B. juncea myrosinase with that of template protein 1MYR-A from S. alba stipulates the amino acid residues Arg115, Gln207, Thr210, Asn350, Tyr352 and Glu429 that constitute active site of the enzyme. Active site analysis also speculates the presence of a hydrophobic pocket in addition to seven N-glycosylation sites. Docking studies of enzyme and substrate illuminate the interactions of various active site residues with diverse groups of sinigrin. Therefore, the present study furnishes the first significant, in silico insight into the 3-D structure, active site machinery, and enzyme-substrate interactions of B. juncea myrosinase.