Computational Analysis of Albaflavenone Interaction with SlMAPK1 for Drought Resistance in Tomato.

As global agricultural challenges intensify, particularly drought stress, the exploration of innovative strategies for crop resilience has become crucial. This study focuses on the role of the microbial endophyte metabolite Albaflavenone in enhancing drought resistance in tomato (Solanum lycopersicum L.) through the activation of the SlMAPK1 protein in the MAPK pathway. To computationally analyze the interaction between Albaflavenone and SlMAPK1 and to elucidate the potential enhancement of drought tolerance in tomato plants through this interaction. We utilized molecular docking, homology modeling, and molecular dynamics simulations to investigate the binding affinities and interaction dynamics between SlMAPK1 and Albaflavenone. Functional network analysis was employed to examine protein-protein interactions within the MAPK pathway, while the MM-GBSA method was used to calculate binding free energies. Our computational analyses revealed that Albaflavenone exhibited a high binding affinity to SlMAPK1 with a binding energy of - 8.9 kcal/mol. Molecular dynamics simulations showed this interaction significantly stabilized SlMAPK1, suggesting enhanced activity. Specifically, the root mean square deviation (RMSD) of the Albaflavenone-SlMAPK1 complex stabilized at around 3.1 Å, while the root mean square fluctuations (RMSF) indicated consistent amino acid conformations. Additionally, the radius of gyration (Rg) analysis demonstrated minimal variance, suggesting a compact and stable protein-ligand complex. The significant binding affinity between Albaflavenone and SlMAPK1 highlights the potential of leveraging plant-microbe interactions in developing sustainable agricultural practices. These findings also demonstrate the effectiveness of computational methods in dissecting complex biological interactions, contributing to a deeper understanding of plant resilience strategies against environmental stresses.

Corrigendum: Investigating the dynamic responses of Aegilops tauschii Coss. to salinity, drought, and nitrogen stress: a comprehensive study of competitive growth and biochemical and molecular pathways.

[This corrects the article DOI: 10.3389/fpls.2023.1238704.].

Corrigendum: Investigating the dynamic responses of Aegilops tauschii Coss. to salinity, drought, and nitrogen stress: a comprehensive study of competitive growth and biochemical and molecular pathways.

[This corrects the article DOI: 10.3389/fpls.2023.1238704.].

Investigating the dynamic responses of Aegilops tauschii Coss. to salinity, drought, and nitrogen stress: a comprehensive study of competitive growth and biochemical and molecular pathways.

Aegilops tauschii (Coss.) is a highly deleterious, rapidly proliferating weed within the wheat, and its DD genome composition exhibits adaptability toward diverse abiotic stresses and demonstrates heightened efficacy in nutrient utilization. Current study investigated different variegated impacts of distinct nitrogen concentrations with varied plant densities, scrutinizing the behavior of Ae. tauschii under various salinity and drought stress levels through multiple physiological, biochemical, and molecular pathways. Different physiological parameters attaining high growth with different plant density and different nitrogen availability levels increased Ae. tauschii dominancy. Conversely, under the duress of salinity and drought, Ae. tauschii showcased an enhanced performance through a comprehensive array of physiological and biochemical parameters, including catalase, peroxidase, malondialdehyde, and proline content. Notably, salinity-associated traits such as sodium, potassium, and the sodium-potassium ratio exhibited significant variations and demonstrated remarkable tolerance capabilities. In the domain of molecular pathways, the HKT and DREB genes have displayed a remarkable upregulation, showcasing a comparatively elevated expression profile in reaction to different levels of salinity and drought-induced stress. Without a doubt, this information will make a substantial contribution to the understanding of the fundamental behavioral tendencies and the efficiency of nutrient utilization in Ae. tauschii. Moreover, it will offer innovative viewpoints for integrated management, thereby enabling the enhancement of strategies for adept control and alleviation.

Estimating the production of withaferin A and withanolide A in Withania somnifera (L.) dunal using aquaponics for sustainable development in hill agriculture.

Introduction: Humanity is suffering from huge and severe difficulties, including changes in climate, soil degradation, scarcity of water and the security of food and medicines, among others. The aquaponics system acts as a closed loop consisting of aquaculture elements and hydroponics, which may contribute to addressing these problems. The aquaponics method is quickly expanding as the requirement to increase the production of sustainable herbal products, including medicinal compounds and foods, in freshwater systems and replenish phosphorous reserves shrinks. Methods: The current work is designed to increase the production of the antioxidants withaferin A and withanolide A in two varieties (Jawahar-20 and Poshita) of W. somnifera using the aquaponics technique. Total 100 seedlings (one month old) grown in soil initially were taken to be grown in aquaponics for a time period of 6 months.And 100 seedlings were placed in pots containing soil as control for study after six months. Results: It was observed that the higher content of withaferin A was analyzed in the root and stem samples of Jawahar-20 and Poshita from the six-month-old plant of W. somnifera. The maximum content of withanolide A was examined in the root samples of the six month-old plants of Poshita (1.879 mg/g) and Jawahar-20 (1.221 mg/g). While the 6 month old Poshita seedling grown in soil recorded less withaferin A (0.115 ± 0.009b) and withanolide A (0.138 ± 0.008d). Discussion: It is concluded that Poshita was found to be more promising for the enhanced production of withaferin A and withanolide A in the aquaponics system. Moreover, the root was observed as the best source for the production of withaferin A and withanolide A and the best age of the plant is 2 years for the production compounds in medicinal plants with futuristic perspective to hill agriculture integrated farming. compounds. Thus aquaponics can be an effective approach with enhanced yield of bioactive compounds in medicinal plants with futuristic perspective to hill agriculture and integrated farming.

Enriching drought resistance in Solanum lycopersicum using Abscisic acid as drought enhancer derived from Lygodium japonicum: A new-fangled computational approach.

Introduction: Drought is the largest abiotic factor impacting agriculture. Plants are challenged by both natural and artificial stressors because they are immobile. To produce drought-resistant plants, we need to know how plants react to drought. A largescale proteome study of leaf and root tissue found drought-responsive proteins. Tomato as a vegetable is grown worldwide. Agricultural biotechnology focuses on creating drought-resistant cultivars. This is important because tomato drought is so widespread. Breeders have worked to improve tomato quality, production, and stress resistance. Conventional breeding approaches have only increased drought tolerance because of drought's complexity. Many studies have examined how tomatoes handle drought. With genomics, transcriptomics, proteomics, metabolomics, and modern sequencing technologies, it's easier to find drought-responsive genes. Method: Biotechnology and in silico studies has helped demonstrate the function of drought-sensitive genes and generate drought-resistant plant types. The latest tomato genome editing technology is another. WRKY genes are plant transcription factors. They help plants grow and respond to both natural and artificial stimuli. To make plants that can handle stress, we need to know how WRKY-proteins, which are transcription factors, work with other proteins and ligands in plant cells by molecular docking and modeling study. Result: Abscisic acid, a plant hormone generated in stressed roots, was used here to make plants drought-resistant. Abscisic acid binds WRKY with binding affinity -7.4kcal/mol and inhibitory concentration (Ki) 0.12 microM. Discussion: This study aims to modulate the transcription factor so plants can handle drought and stress better. Therefore, polyphenols found to make Solanum lycopersicum more drought-tolerant.

Assessment of the Impacts of Green Synthesized Silver Nanoparticles on Maerua oblongifolia Shoots under In Vitro Salt Stress.

Salinity is one of the major abiotic stresses that affect the plant's growth and development. Recently, the contribution of nanoparticles (NPs) to ameliorating salinity stresses has become the new field of interest for scientists due to their special physiochemical properties in the biological system. This study is designed to examine the effects of biosynthesized silver nanoparticles (AgNPs) spherical in shape (size range between 9 and 30 nm) on morphophysiological characteristics and the antioxidant defense system of in vitro raised Maerua oblongifolia under four levels of salt stress (0, 50, 100, and 200 mM NaCl). Our findings reveal that the application of AgNPs (0, 10, 20, and 30 mg/L) to M. oblongifolia shoots significantly alleviates the adverse effects of salt stress and ameliorates plant developmental-related parameters and defense systems. High salinity elevates the oxidative damage by over-accumulation of the levels of total soluble sugars, proline, hydrogen peroxide (H2O2), and malondialdehyde (MDA). In addition, enhancing the activity of the antioxidant enzymes, total phenolic, and flavonoid content over the control. Interestingly, the application of AgNPs to salinized plants improved the growth traits and photosynthetic pigment production and caused higher enhancement in antioxidant enzyme activities. Furthermore, mitigating the oxidative damage by lowering the accumulation of proline, soluble sugars, H2O2, MDA, and total phenolic and flavonoid contents in salt-stressed plants. In general, AgNPs augmented the growth of M. oblongifolia shoots under saline conditions through different strategies; thus, AgNPs can be used as an appropriate eco-friendly approach that enhances salinity tolerance in plants.

Silicon fertilization counteracts salinity-induced damages associated with changes in physio-biochemical modulations in spinach.

Plant growth and productivity are limited by the severe impact of salt stress on the fundamental physiological processes. Silicon (Si) supplementation is one of the promising techniques to improve the resilience of plants under salt stress. This study deals with the response of exogenous Si applications (0, 2, 4, and 6 mM) on growth, gaseous exchange, ion homeostasis and antioxidant enzyme activities in spinach grown under saline conditions (150 mM NaCl). Salinity stress markedly reduced the growth, physiological, biochemical, water availability, photosynthesis, enzymatic antioxidants, and ionic status in spinach leaves. Salt stress significantly enhanced leaf Na+ contents in spinach plants. Supplementary foliar application of Si (4 mM) alleviated salt toxicity, by modulating the physiological and photosynthetic attributes and decreasing electrolyte leakage, and activities of SOD, POD and CAT. Moreover, Si-induced mitigation of salt stress was due to the depreciation in Na+/K+ ratio, Na+ ion uptake at the surface of spinach roots, and translocation in plant tissues, thereby reducing the Na+ ion accumulation. Foliar applied Si (4 mM) ameliorates ionic toxicity by decreasing Na+ uptake. Overall, the results illustrate that foliar applied Si induced resistance against salinity stress in spinach by regulating the physiology, antioxidant metabolism, and ionic homeostasis. We advocate that exogenous Si supplementation is a practical approach that will allow spinach plants to recover from salt toxicity.

Phytochemical Profiling, Antioxidant, Anti-Inflammatory, Thrombolytic, Hemolytic Activity In Vitro and In Silico Potential of Portulacaria afra.

The use of complementary herbal medicines has recently increased in an attempt to find effective alternative therapies that reduce the adverse effects of chemical drugs. Portulacaria afra is a rich source of phytochemicals with high antioxidant activity, and thus may possess health benefits. This study used the latest developments in GC-MS coupling with molecular docking techniques to identify and quantify the phytoconstituents in P. afra tissue extracts. The results revealed that n-butanol P. afra (BUT-PA) dry extracts contained total phenolic and flavonoids contents of 21.69 ± 0.28 mgGAE/g and 196.58 ± 6.29 mgGAE/g, respectively. The significant potential of antioxidants was observed through CUPRIC, FRAP, and ABTS methods while the DPPH method showed a moderate antioxidants potential for P. afra. Enzymatic antioxidants, superoxide dismutase, peroxidase and catalase also showed a better response in the BUT-PA dry extracts. The thrombolytic activity of the BUT-PA extracts ranged from 0.4 ± 0.32 to 11.2 ± 0.05%. Similarly, hemolytic activity ranged from 5.76 ± 0.15 to 9.26 ± 0.15% using the standard (triton x) method. The BUTPA and CHPA showed moderate acetylcholinesterase and butrylcholinesterase inhibition, ranging from 40.78 ± 0.52 to 58.97 ± 0.33, compared to galantamine. The carrageenan induced hind-paw edema assay, while BUT-PA extracts showed anti-inflammatory properties in a dose-dependent manner. Furthermore, 20 compounds were identified in the BUTPA extracts by GC-MS. Molecular docking was performed to explore the synergistic effect of the GC-MS-identified compounds on COX-1 and COX-2 inhibition. A high binding affinity was observed for Stigmastan-3, 5-diene, Phthalic acid, 3. Alpha-Hydroxy-5, 16-androstenol. The computed binding energies of the compounds revealed that all the compounds have a synergistic effect, preventing inflammation. It was concluded that active phytochemicals were present in P. afra, with the potential for multiple pharmacological applications as a latent source of pharmaceutically important compounds. This should be further explored to isolate secondary metabolites that can be employed in the treatment of different diseases.

Integrated use of phosphorus, farmyard manure and biofertilizer improves the yield and phosphorus uptake of black gram in silt loam soil.

An experiment on the use of farmyard manure and biofertilizer along with application of chemical phosphorus was conducted to assess the impact of differential doses of phosphorus, farmyard manure and consortium biofertilizer application on the development, yield and phosphorus uptake during the year 2018 and 2019. The impact of different treatments was recorded on the plant height, dry matter partition, yield and yield attributes, phosphorus uptake and soil phosphorus availability using standard methods. The data revealed significant improvement in yield, yield attributes, phosphorus uptake and soil phosphorus availability. The integration of farmyard manure and biofertilizer with 60 kg ha-1 SSP (single superphosphate) has improved the black gram yield by 7.4% and 3.28% respectively over the use of 60 SSP alone. The phosphorus uptake in black gram with application of Farm yard manure and biofertilizer along with 60 kg ha-1 SSP has improved the uptake by 7.18% and 2.51% respectively over the use of 60 kg ha-1 SSP alone. The results highlight the need of integrated application of farm yard manure, biofertilizer for sustainable production of black gram in the region.

Field screening of diverse wheat germplasm for determining their adaptability to semi-arid climatic conditions.

Wheat (Triticum aestivum L.) is an important staple food crop for one third of global population and important crop for securing future food security. Rapid changes in the climate on global scale could be a threat for future food security. This situation urges plant breeders to explore the genetic potential of existing wheat germplasm. This study screened forty diverse wheat genotypes for their yield under two different agroclimatic conditions, i.e., Layyah and Dera Ghazi Khan, Pakistan. Data relating to plant height, peduncle length, flag leaf area, spike length, number of spikelets, number of grains per spike, thousand grain weight, chlorophyll content and grain yield were recorded. The tested wheat genotypes significantly differed for grain yield and related traits. Grain yield was positively correlated with plant height, spike length, spike number, flag leaf length, number of grains per spike, and 1000-grain weight. Biplot obtained from the cluster analysis by Euclidean method grouped the studied genotypes in 3 different groups. The genotypes exhibited 10.77% variability within quadrants, whereas 72.36% variability was recorded between quadrants according to clustering. Dendrogram grouped the tested genotypes into two main clusters. The main cluster "I" comprised of 2 genotypes, i.e., 'Seher-2006' and 'AS-2002'. The cluster "II" contained 38 genotypes based on Euclidian values. Genotypes within same cluster had smaller D2 values compared to those belonging to other clusters. The genetic relationships of genotypes provide useful information for breeding programs. Overall, the results revealed that genotypes 'Line 9733', 'Bhakar-2002', 'Line A9' and 'SYN-46' had better yield and yield stability under climatic conditions of southern Punjab. Therefore, these genotypes could be recommended for general cultivation in the study region.

Application of Zinc and Iron-Based Fertilizers Improves the Growth Attributes, Productivity, and Grain Quality of Two Wheat (Triticum aestivum) Cultivars.

Field-based experiments were conducted during wheat cultivation seasons of 2017-2018 and 2018-2019 to minimize the impact of hidden hunger (micronutrient deficiencies) through agronomic biofortification of two wheat cultivars with zinc and iron. Two spring-planted bread wheat cultivars: Zincol-16 (Zn-efficient) and Anaj-17 (Zn-inefficient with high-yield potential) were treated with either zinc (10 kg/ha), iron (12 kg/ha), or their combination to study their effect on some growth attributes (plant height, tillers, and spike length, etc.,), productivity, and quality. No application of zinc and iron or their combinations served as the control. Maximum Zn and Fe contents of grains were improved by sole application of Zn and Fe, respectively. A higher concentration of Ca in grains was observed by the combined application of Zn and Fe. Starch contents were found maximum by sole application of Fe. Sole or combined application of Zn and Fe reduced wet gluten contents. Maximum proteins were recorded in Anaj-17 under control treatments. Zincol-16 produced maximum ionic concentration, starch contents, and wet gluten as compared to Anaj-17. Yield and growth attributes were also significantly (p < 0.05) improved by combined application as compared to the sole application of Zn or Fe. The combined application also produced the highest biological and grain yield with a maximum harvest index. Cultivar Anaj-17 was found more responsive regarding growth and yield attributes comparatively. The findings of the present study showed that the combined application of Zn and Fe produced good quality grains (more Zn, Fe, Ca, starch, and less gluten concentrations) with a maximum productivity of bread wheat cultivars.

Optimization Method for Phenolic Compounds Extraction from Medicinal Plant (Juniperus procera) and Phytochemicals Screening.

Juniperus procera is a natural source of bioactive compounds with the potential of antitumor, antimicrobial, insecticidal, antifungal, and antioxidant activities. An optimization method was developed for total phenolic content (TPC), total flavonoid content (TFC), and total tannin content (TTC) in leaf and seed extract of Juniperus procera. Organic solvents (methanol (99.8%), ethanol (99%), and acetone (99.5%)), and deionized water (DI) were used for extraction. The estimation of TPC, TFC, and TTC in plant materials was carried out using UV-spectrophotometer and HPLC with the standards gallic acid, quercetin, and tannic acid. Recovery of TPC in leaf extract ranged from 2.9 to 9.7 mg GAE/g DW, TFC from 0.9 to 5.9 mg QE/g DW, and TTC ranged from 1.5 to 4.3 mg TA/g DW while the TPC value in the seed extract ranged from 0.53 to 2.6 mg GAE/g DW, TFC from 0.5 to 1.6 mg QE/g DW, and TTC ranged from 0.5 to 1.4 mg TA/g DW. This result revealed that methanol is the best solvent for recovery of the TPC value (9.7 mg) from leaf extract in comparison to other solvents. Ethanol recorded the highest result of TFC (5.9 mg) in leaf extract among the solvents whereas acetone was the best for TTC yield recovery from leaf extract (4.3 mg). In the case of the seed extract, ethanol was the best solvent for both TPC (2.6 mg), and TFC (1.6 mg) recovery in comparison to other solvents. Total tannin content in methanol resulted in significant recovery from seed extract (1.4 mg). Separation and quantification of gallic acid, quercetin, and tannic acid in plant materials were undertaken using HPLC. Gallic acid in leaf and seed of J. procera ranged from 6.6 to 9.2, 6.5 to 7.2 µg/g DW, quercetin from 6.3 to 18.2, 0.9 to 4.2 µg/g DW, and tannic acid from 16.2 to 29.3, 6.6 to 9.3 µg/g DW, respectively. Solvents have shown a significant effect in the extraction of phenolic compounds. Moreover, phytochemicals in plant materials were identified using GC-MS and resulted in very important bioactive compounds, which include anti-inflammatory, antibacterial, and antitumor agents such as ferruginol, phenanthrene, and n-hexadecanoic acid. In conclusion, the optimal solvent for extraction depends on the part of the plant material and the compounds that are to be isolated.