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Abstract Background Polygalacturonase inhibiting proteins (PGIPs) play a pivotal role in plant defense against plant pathogens by inhibiting polygalacturonase (PG), an enzyme produced by pathogens to degrade plant cell wall pectin. PGIPs, also known as leucine-rich repeat pathogenesis-related (PR) proteins, activate the host’s defense response upon interaction with PG, thereby reinforcing the host defense against plant pathogens attacks. In Egyptian or extra-long staple cotton (Gossypium barbadense), the interaction between PGIP and PG is one of the crucial steps in the defense mechanism against major pathogens such as Xanthomonas citri pv. malvacearum and Alternaria macrospora, which are responsible for bacterial leaf blight and leaf spot diseases, respectively. Results To unravel the molecular mechanisms underlying these PR proteins, we conducted a comprehensive study involving molecular modeling, protein-protein docking, site-specific double mutation (E169G and F242K), and molecular dynamics simulations. Both wild-type and mutated cotton PGIPs were examined in the interaction with the PG enzyme of a bacterial and fungal pathogen. Our findings revealed that changes in conformations of double-mutated residues in the active site of PGIP lead to the inhibition of PG binding. The molecular dynamics simulation studies provide insights into the dynamic behaviour and stability of the PGIP-PG complexes, shedding light on the intricate details of the inhibitory and exhibitory mechanism against the major fungal and bacterial pathogens of G. barbadense, respectively. Conclusions The findings of this study not only enhance our understanding of the molecular interactions between PGs of Xanthomonas citri pv. malvacearum and Alternaria macrospora and PGIP of G. barbadense but also present a potential strategy for developing the disease-resistant cotton varieties. By variations in the binding affinities of PGs through specific mutations in PGIP, this research offers promising avenues for the development of enhanced resistance to cotton plants against bacterial leaf blight and leaf spot diseases.

The cell wall of the Glycine max altered by the polygalacturonases (PGs) secreted by the fungus Sclerotinia sclerotiorum, causes disease and quality losses. In soybeans, a resistance protein called polygalacturonases-inhibiting proteins (PGIPs) binds to the PG to block fungal infection. The active site residues of PGIP3, VAL170 and GLN242 are mutated naturally by various amino acids in different types of PGIPs. Therefore, the mutation of VAL170 to GLY is ineffective but the GLN242 amino acid mutation by LYS significantly alters the structure and is crucial for interacting with the PG protein. Docking and Molecular Dynamics simulation provide a comprehensive evaluation of the interactions between gmPGIP and ssPG. By elucidating the structural basis of the interaction between gmPGIP and ssPG, this investigation lays a foundation for the development of targeted strategies in-order to enhance soybean resistance against Sclerotinia sclerotiorum. By leveraging this knowledge, researchers can potentially engineer soybean varieties with improved resistance to the fungus, thereby reducing disease incidence and improving crop yields.

The rapid growth of cloud storage brings forth significant difficulties in ensuring the integrity of data owners' sensitive data. Multi-cloud storage systems, which motive to enhance trustworthiness, are vulnerable to rigorous replacement attacks. These insidious attacks involve malicious actors substituting legitimate data with counterfeit versions, leading to compromised integrity and fraudulent audit outcomes. We propose a novel identity-based data integrity auditing protocol tailored for multi-cloud storage environments to tackle this challenge. Our protocol leverages a Third-Party Auditor (TPA) to delegate data authenticity and auditing responsibilities, employing identity-based blind signatures with a robust data recovery scheme. By eliminating the need for cumbersome public key certificate management, our solution effectively protects data owners' sensitive data while ensuring confidentiality across multiple cloud providers, thereby mitigating the risk of replacement attacks. A thorough security examination shows the proposed system resists forging, replacement attacks, and data confidentiality violations. A rigorous performance experiment also reveals outstanding computational and communication efficiency that outperforms current methods in tag production, proof generation, and verification. Our protocol offers an extraordinary balance of security and efficiency, making it particularly useful for auditing patent-sensitive data in multi-cloud storage. Our proposal provides a timely and effective way to protect sensitive data and prevent attackers in multi-cloud storage settings at a time when replacement attacks pose a serious concern.

The recent emergence of novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causing the coronavirus disease (COVID-19) has become a global public health crisis, and a crucial need exists for rapid identification and development of novel therapeutic interventions. In this study, a recurrent neural network (RNN) is trained and optimized to produce novel ligands that could serve as potential inhibitors to the SARS-CoV-2 viral protease: 3 chymotrypsin-like protease (3CLpro). Structure-based virtual screening was performed through molecular docking, ADMET profiling, and predictions of various molecular properties were done to evaluate the toxicity and drug-likeness of the generated novel ligands. The properties of the generated ligands were also compared with current drugs under various phases of clinical trials to assess the efficacy of the novel ligands. Twenty novel ligands were selected that exhibited good drug-likeness properties, with most ligands conforming to Lipinski’s rule of 5, high binding affinity (highest binding affinity: −9.4 kcal/mol), and promising ADMET profile. Additionally, the generated ligands complexed with 3CLpro were found to be stable based on the results of molecular dynamics simulation studies conducted over a 100 ns period. Overall, the findings offer a promising avenue for the rapid identification and development of effective therapeutic interventions to treat COVID-19.

PolyGalacturonase Inhibiting Proteins (PGIPs) are leucine rich repeat pathogenesis-related (PR) cell wall proteins, which interact and inhibit the PolyGalacturonase (PG), an enzyme secreted by the pathogen to degrade pectin. Interaction of PGIP with PG limits the vulnerability of PG by the activation of host defense response against pathogenic attack. Erwinia is gram-negative soft rot bacteria responsible for rhizome rot disease in banana and many other crop plants. The interaction of PG with PGIP is one of the crucial steps for plant-pathogen interaction. To study the molecular mechanism of PR proteins, we employed molecular modelling, protein-protein docking and molecular dynamics simulations of banana PGIP (bPGIP) with Erwinia carotovora PG (ecPG). Further, insilico site-directed mutagenesis was performed in Phaseolus vulgaris PGIP (pvPGIP2) to elucidate the interaction with ecPG. Docking and simulation studies divulge that binding of bPGIP and PvPGIP2 with active site residues of EcPG induces structural changes and thereby inhibit the enzyme. This study provides a unique insight into PG-PGIP interaction, which may help in the development of bacterial soft-rot resistant banana cultivars.

Integrated management of rice–maize systems is an emerging challenge in southern India due to improper rice residues and tillage management in maize crops. Conservation agriculture (CA) practices such as a reduced tillage and maintaining stubble mulch may hold the potential to increase yields, reduce crop establishment costs and increase farm incomes. A five-year trial was performed to study the effect of different CA and establishment methods in rice on system productivity, profitability, and soil carbon status in a rice–maize system. In the rainy season, the trial consisted of two main treatments: (i) normal manual transplanting and (ii) direct-wet seeding, and three sub-main treatments at different sowing dates with fifteen day intervals. In addition, in the winter season, two tillage treatments (conventional and minimum tillage) were imposed over the rainy season treatments. Both rice and maize were grown under irrigated conditions. The results showed that sowing times at 15 day intervals did not impact the yield significantly. Transplanted rice obtained a significantly higher grain yield during the first four years, but in the last year, the yield was similar in both of the establishment methods. In the winter season, conventional tilled maize recorded a higher cob yield than under the minimum tilled treatment, except for the last year, where both the tillage treatment effects were the same. System productivity of CA-based minimum tilled rice–maize was inferior during the first three years but was superior to the conventionally tilled method in the fourth and fifth year. Pooled analysis revealed that the conventionally tilled rice–maize system resulted in a similar system productivity as that of the CA during the study period. The cost–benefit analysis revealed that transplanted rice and conventionally tilled maize fetched higher net returns of INR 111,074 and INR 101,658/ha, respectively, over the direct-wet seeded rice and CA. In addition, the 15 July rice sown followed by the maize system led to an increase in irrigation water productivity by 15.7%, and the total water (irrigation + rainfall) productivity by 27.1% in the maize crop compared with the 30 July sown system. The CA-based rice–maize system resulted in a significantly higher very labile (0.194%) and labile (0.196%) carbon concentration at a 0–5 cm depth of soil compared to those under the conventional system. Thus, CA can be recommended for southern India and similar agro-ecological tropic and sub-tropic conditions. This system can be followed with appropriate location-specific modification in South-Asian countries, where crop yields and soil health are declining as a result of continuous cereal–cereal crop rotation.

Twenty two barley genotypes were evaluated for green fodder yield, grain yield and related morphological characters. Plant height, spike length, number of spikelets per spike, number of grains per spike, number of tillers per meter row length and test weight had positive and significant correlation with green fodder yield. Spike length, number of spikelets per spike, number of grains per spike, number of tillers per meter row length, test weight and green fodder yield showed positive and significant association with grain yield. Number of tillers per meter row length and leaf length were having the highest positive direct effects on green fodder yield. Spike length, number of spikelets per spike, number of grains per spike, number of tillers per meter row length, leaf width, test weight, peduncle length and leaf length showed positive direct effects on grain yield. Hence these traits may be considered as selection indices for green fodder and grain yield.

Twenty two barley genotypes were evaluated for green fodder yield, grain yield and related morphological characters. Genotypes significantly differed for all the 14 characters indicating sufficient variability in the experimental material. The characters plant height, spike length, peduncle length, number of tillers per meter row length, test weight, green fodder yield and grain yield showed high GCV and PCV. High estimates of heritability along with high genetic advance (% of mean) were observed for plant height, spike length, peduncle length, number of tillers per meter row length, test weight, green fodder yield and grain yield. Therefore, selection will be effective for these characters.

Background: Langerhans' cell histiocytosis (LCH) is a reactive proliferative disease of unknown pathogenesis characterized by proliferation of Langerhans cells. Involvement of bone marrow (BM), liver and lung are related to high risk factors and poor survival. The aim of this report is to highlight the clinical and haematological findings of 5 cases of LCH with BM infiltration which may help to predict involvement of BM. Case series: Five cases of Langerhan’s cell histiocytosis with bone marrow infiltration were retrieved from archives of Department of Hematology, PGIMER and Chandigarh for review and further analysis.Male to female ratio was 3:2 with mean age of 9.4 months. Two out of 5 patients had obvious skull swelling; however, radiography of the skull revealed lytic lesion of skull in 4 cases and 2 had skin rashes. Hepatomegaly was present in 4 cases and 2 of whom also had lymphadenopathy and splenomegaly. All patients had anaemia at the time of presentation. Bone marrow aspiration and trephine biopsy in all 5 cases revealed infiltration by large histiocytes with abundant cytoplasm and coffee bean shaped nucleus. Nodules of these Langerhans cells with admixture of eosinophils were seen on trephine biopsy. Immunohistochemistry showed positivity for CD1a stain. Conclusion: BM evaluation is important in LCH patients to categorize disease which further determines the type of therapy to be given. Clinical details may help to predict the BM involvement; however, demonstration of CD1a positive cells in marrow is most important tool to diagnose marrow infiltration by LCH.

Background: Polygalacturonase inhibiting proteins (PGIPs) play a pivotal role in plant defense against plant pathogens by inhibiting polygalacturonase (PG), an enzyme produced by pathogens to degrade plant cell wall pectin. PGIPs, also known as leucine-rich repeat pathogenesis-related (PR) proteins, activate the host's defense response upon interaction with PG, thereby reinforcing the host defense against plant pathogens attacks. In Egyptian or extra-long staple cotton (Gossypium barbadense), the interaction between PGIP and PG is one of the crucial steps in the defense mechanism against major pathogens such as Xanthomonas citri pv. malvacearum and Alternaria macrospora, which are responsible for bacterial leaf blight and leaf spot diseases, respectively. Results: To unravel the molecular mechanisms underlying these PR proteins, we conducted a comprehensive study involving molecular modeling, protein-protein docking, site-specific double mutation (E169G and F242K), and molecular dynamics simulations. Both wild-type and mutated cotton PGIPs were examined in the interaction with the PG enzyme of a bacterial and fungal pathogen. Our findings revealed that changes in conformations of double-mutated residues in the active site of PGIP lead to the inhibition of PG binding. The molecular dynamics simulation studies provide insights into the dynamic behaviour and stability of the PGIP-PG complexes, shedding light on the intricate details of the inhibitory and exhibitory mechanism against the major fungal and bacterial pathogens of G. barbadense, respectively. Conclusions: The findings of this study not only enhance our understanding of the molecular interactions between PGs of Xanthomonas citri pv. malvacearum and Alternaria macrospora and PGIP of G. barbadense but also present a potential strategy for developing the disease-resistant cotton varieties. By variations in the binding affinities of PGs through specific mutations in PGIP, this research offers promising avenues for the development of enhanced resistance to cotton plants against bacterial leaf blight and leaf spot diseases. [ABSTRACT FROM AUTHOR]