Browsing by Author "Anil Kumar Singh"

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A comprehensive review on structural and therapeutical insight of Cerebroside sulfotransferase (CST) - An important target for development of substrate reduction therapy against metachromatic leukodystrophy
(Elsevier B.V., 2024) Nivedita Singh; Anil Kumar Singh
This review is an effort towards the development of substrate reduction therapy using cerebroside sulfotransferase (CST) as a target protein for the development of inhibitors intended to treat pathophysiological condition resulting from the accumulation of sulfatide, a product from the catalytic action of CST. Accumulation of sulfatides leads to progressive impairment and destruction of the myelin structure, disruption of normal physiological transmission of electrical impulse between nerve cells, axonal loss in the central and peripheral nervous system and cumulatively gives a clinical manifestation of metachromatic leukodystrophy. Thus, there is a need to develop specific and potent CST inhibitors to positively control sulfatide accumulation. Structural similarity and computational studies revealed that LYS85, SER172 and HIS141 are key catalytic residues that determine the catalytic action of CST through the transfer of sulfuryl group from the donor PAPS to the acceptor galactosylceramide. Computational studies revealed catalytic site of CST consists two binding site pocket including PAPS binding pocket and substrate binding pocket. Specific substrate site residues in CST can be targeted to develop specific CST inhibitors. This review also explores the challenges of CST-directed substrate reduction therapy as well as the opportunities available in natural products for inhibitor development. © 2023 Elsevier B.V.
Breeding for improved yield and powdery mildew, rust resistance in fieldpea (Pisum sativum L. ssp. arvense) adapted for sub-tropical condition of NEH region of India
(Indian Society of Pulses Research and Development (ISPRD), 2024) S. Bhuvaneswari; Susheel Kumar Sharma; I. Meghachandra Singh; E. Lamalakshmi Devi; Anil Kumar Singh; Ch Premabathi Devi; Th Surjit Singh; Ch Rephahini Chanu; L. Robert Singh; N. Radhakishore; Ch Chinglen Meitei
In the present investigation, advanced breeding lines of fieldpea were screened for diseases (powdery mildew and rust) resistance under natural epiphytotic conditions, yield traits and reported linked molecular markers. Parental polymorphic STS markers A5, AD 59, AD60, PD10650, PBA 0398, AD 237 linked to powdery mildew and AD146 marker linked to rust resistance showed no correlation with the disease reaction and thus could not be used for resistance breeding program. The best five lines MHT-15-3, MHT-15-4, MHT-15-2, MHD-3-6-2, MHD-4-1-1 with significantly higher yield than the superior check variety Prakash had pod yield ranging from 3128 to 2157 kg/ha and seed yield ranging 2814 to 2022 kg/ha. Promising advanced breeding lines with field tolerance to both diseases and significantly higher yield were also identified adapted for the NEH region. © 2024 Indian Society of Pulses Research and Development (ISPRD). All rights reserved.
Climate-Resilient Rice Establishment Practices: Findings and Lessons from Two Villages in Bihar, India
(Multidisciplinary Digital Publishing Institute (MDPI), 2023) Subhashisa Praharaj; Ratnesh Kumar Jha; Anil Kumar Singh; Shishir Kumar Gangwar; Rajendra Pratap Singh; Madhu Sudan Kundu; Abdus Sattar; Chelpuri Ramulu; Abhinav Kumar Singh; Surendra Singh Jatav; Abhik Patra
A growing population, changing climate, scarcity of resources, and the urgent need to achieve sustainable development goals makes it imperative to reimagine agriculture in a way that makes it economically profitable, climate-resilient, resource-efficient. Traditional rice production technology involving puddling and transplanting has often been criticized for its inefficient resource utilization, high cost of production, and emission of greenhouse gases such as methane. Direct-seeded rice (DSR), promoted for its climate-resilient nature, is often utilized by farmers in three different ways: broadcasting, line sowing, and zero tillage. However, these establishment methods have certain advantages and limitations, as perceived by farmers. The present study attempts to closely study the crop performance of rice under the abovementioned crop establishment methods. The study was conducted in farmers’ fields in a way where both the farmers’ freedom and research conditions were equally taken care of. The study aims to analyze crop performance while emphasizing farmers’ field-based knowledge to ensure a lab-land-lab loop for understanding the scope of refinement in agronomic as well extension strategies. The results of this study reveal the superiority of zero tillage over broadcasting and line sowing in terms of crop performance and economic performance in the northwest alluvial plain zone of Bihar. The study has also identified the constraints associated with adoption of line sowing and zero tillage. © 2023 by the authors.
Clinical efficacy of moringa oleifera lam. Stems bark in urinary tract infections
(Hindawi Limited, 2014) Santosh Kumar Maurya; Anil Kumar Singh
Objective. Urinary tract infections (UTI) are the most common problem in clinical practice. Usually they are asymptomatic and are commonly present with distressing symptoms like pain and burning sensation on urination. Antibiotics are widely used to treat UTIs; however, they have their own limitations like resistance, reinfection, and relapses.The purpose of the current study was to evaluate the value of Moringa oleifera Lam. stem bark as a potential medicine for UTIs. Study Design. 30 patients with UTI were randomly divided into two groups with 15 patients in each group. Shigru bark was given to patients of the first group (trial group) and modern medicines were prescribed to the other group of patients. At least three follow-ups are taken in both groups at the end of every week of treatment. Results. After treatment 66.67 % were cured, 13.33 % improved, 13.33% patients have no change, and 6.67% relapsed in trial group and in control group 46.67% were cured, 26.66% improved, 6.67% patients have no change, and 20% relapsed. Interpretation and Conclusion.The trial drug is significant in the management of UTI. This study needs to be done on a large scale and for a long time. © Copyright 2014 S. K. Maurya and A. K. Singh.
Combatting Cadmium Toxicity in Animals with Nature-Derived Remedies: Mechanisms and Mitigation
(Springer, 2025) Anil Kumar Singh; Vishakha S. Singh; Mahendra Ram; Shilpi Kerketta; Lamella Ojha; Punita Kumari; Shailendra Kumar Rajak
Cadmium (Cd) contamination in agricultural ecosystems represents a persistent One Health challenge, threatening livestock productivity, food safety, and human health. Once ingested, Cd bypasses efficient excretion, accumulates in the liver, kidney, bone, and reproductive tissues, and provokes oxidative stress, inflammation, and metabolic dysfunction. This review presents a critical examination of experimental evidence on nature-derived mitigation strategies-including phytochemicals, essential trace minerals, vitamins, and probiotics-with emphasis on their molecular, genetic, and metabolomic mechanisms of action. Phytochemicals such as polyphenols and terpenoids modulate oxidative and inflammatory signaling, minerals such as Zinc (Zn) and Selenium (Se) induce metallothionein (MT) expression and antagonize Cd absorption, vitamins enhance redox homeostasis, and probiotics bind Cd in the gut and restore microbial and immune balance. Most of the evidences suggest the role of Zn, Se, and selected probiotic strains in reducing tissue Cd burden, while phytochemicals show mechanistic promise but limited bioavailability in ruminants. To address these gaps, three integrative frameworks-Triple-T (Targeting, Timing, Tuning), Gastrointestinal Fate Determinism (GFD), and a Mitigation Potential (MP)- that prioritize interventions by biological efficacy, delivery feasibility, and translational potential in being proposed. Although nature-derived strategies present a sustainable avenue for combating Cd toxicity, their successful integration into livestock production systems necessitates interdisciplinary efforts. Overcoming translational barriers through advanced delivery systems, species-specific dosing, and cost-effective formulations is imperative to safeguard animal health, ensure productivity, and uphold One Health principles. © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2025.
Comparative Study of Crossability Behavior in Intra-specific and Inter-specific Crosses of Vigna radiata and Vigna mungo
(Agricultural Research Communication Centre, 2023) Varsha Singh; Anil Kumar Singh; Mahendra Narain Singh; Brajesh Sinha
Background: The basic plant material consisted of 9 mungbean and 5 urdbean genotypes. 42 different crosses were made comprising 13 Vigna radiata ´ V. radiata, 4 V. radiata ´ V. mungo and 25 V. radiata ´ V. mungo crosses. Varying degree of success has been achieved in obtaining intraspecific and interspecific crosses having desired variability for yield and yield contributing traits along with MYMV resistance. Methods: The present investigation was done at Agricultural Research Farm, Banaras Hindu University, Varanasi, during Kharif, 2019 and Summer, 2020. 42 intra-specific and inter-specific cross combinations were initially examined for their crossability. Out of these, six promising crosses with higher crossability percent were further analyzed for hybrid pollen fertility, hybrid lethality and, evaluation of F1 and parents for different yield traits. Result: Crossability per cent found highest in intraspecific cross HUM 2 ´ IPM 02-3 (41.86%) in mungbean while, in urdbean cross NDU 1 ´ R3/12 (41.38%). In interspecific crosses, the maximum crossability per cent was found in SKAU M 365 ´ R3/28 (34.92%). Two mungbean genotypes (HUM 2 and HUM 26) and two urdbean genotypes (R3/12 and R3/28) can be further utilized for genetic improvement through inter-specific hybridization as there cross combinations are better performing on the basis of yield attributes along with MYMV resistance. © 2023, Agricultural Research Communication Centre. All rights reserved.
Correction to: Discovery of novel HBV core protein inhibitors by high throughput virtual screening (Scientific Reports, (2025), 15, 1, (13054), 10.1038/s41598-025-97242-6)
(Nature Research, 2025) Jahanvi Sanchitra; Abhijit Debnath; Anil Kumar Singh; A. K. Jha; Rajesh Kumar Singh
Correction to: Scientific Reportshttps://doi.org/10.1038/s41598-025-97242-6, published online 16 April 2025 The original version of this Article contained errors. In the Introduction section, “Upon entering the body, HBV targets hepatocytes10, the major cells of the liver11. The virus’s envelope protein E2 binds to human CD81, a receptor on hepatocytes, facilitating entry12.” now reads: “Upon entering the human body, HBV targets hepatocytes10, the major cells of the liver11. The virus’s envelope protein PreS1 domain of large surface antigen (L-HBsAg) binds to human NTCP (Sodium Taurocholate Co-transporting Polypeptide), a receptor on hepatocytes, facilitating entry through Receptor-mediated endocytosis12”. In addition, Reference 12 was incorrect. “12. Pileri, P. et al. Binding of hepatitis C virus to CD81. Science282, 938–941 (1998)” now reads: “12. Asami J. et al. Structural basis of hepatitis B virus receptor binding. Nat. Struct. Mol. Biol. 31(3):447–454 (2024).” The original Article has been corrected. © The Author(s) 2025.
Crop Nitrogen Stress Identification at Different Phenological Stages for Sorghum Using a Regional Crop Yield Estimation System (RCYES)
(Apple Academic Press, 2024) Ganesh B. Gohain; R.S. Singh; Anil Kumar Singh; Abhishek Singh; Ragini Sharma; Vishnu D. Rajput; Karen Ghazaryan
During the growth period of a crop, estimating the crop yield and other crop stresses like water and nitrogen helps the farmers, planners, policymakers, and researchers in making decisions on effective maintenance and utilization of resource input distribution, and regulation on import and export. Crop stress identification during the crop growth at different stages helps categorize potential zones and variation in production as a result of managing crops, agronomic, and climatic features. The crop’s nitrogen requirement is a crucial factor in determining the season’s crop production. It is an essential element for plant growth and development. The most important agricultural phases that can reduce production of the crop are the Leaf growing, Anthesis, and grain filling phases. Many approaches are adopted to identify crop nitrogen stress. Various users use CSM (crop simulation model) decision support system (DSS) for Agrotechnology Transfer (DSSAT) software for their study. The CERES-Sorghum CSM embedded in the DSSAT software is used to estimate crop nitrogen stress during our research. We used the developed RCYES (regional crop yield estimation system) created using Python to prepare an experimental file and simulate yield and crop nitrogen stress at the spatial resolution of 25 km in the districts of Maharashtra, India for Sorghum crop. The RCYES system has different modules. It simulates the crop model, extracts the required information, and efficiently prepares files, graphs, and maps without much human intervention. © 2025 by Apple Academic Press, Inc.
Cytotoxic and apoptotic inducing activity of Amoora rohituka leaf extracts in human breast cancer cells
(Elsevier B.V., 2020) Rajesh Kumar Singh; Amit Ranjan; Akhileshwar Kumar Srivastava; Monika Singh; Anil Kumar Shukla; Neelam Atri; Anurag Mishra; Anil Kumar Singh; Santosh Kumar Singh
Background: Amoora rohituka is described in Ayurveda, an Indian traditional system of medicine for management of disorders of blood, diseases of eye, helminthiasis disease, ulcer, liver disorders and splenomegaly. However, the leaves were not reported to have anticancer properties till date. Objective: This study was carried out to evaluate the cytotoxic potential of leaf extracts of Amoora rohituka. Materials and methods: The leaves powder was macerated in petroleum ether, ethyl acetate and methanol and evaluated their anticancer activities in vitro. The phytochemical constituents of the active (ethyl acetate) extract were screened by FTIR analysis and phytochemical screening methods. Results: The ethyl acetate extract (RLEA) showed the presence of alkaloids, flavonoids, steroids, tannins, saponins and terpenoids. The RLEA exhibited high cytotoxic effect against human breast cancer cells, MCF-7 (IC50 = 9.81 μg/mL) and induced apoptosis by altering nuclear morphology and DNA laddering. Wound healing assays explained the potency of extract to decrease the cell migration. Conclusion: The extract of Amoora rohituka leaves exhibited anticancer activity with less toxicity and it could be used for development of alternative drugs in the treatment of human breast cancer. © 2019 Transdisciplinary University, Bangalore and World Ayurveda Foundation
Deep Learning-Based Similar Languages’ POS Tagging: Experiments on Bhojpuri, Maithili, and Magahi
(Springer Science and Business Media Deutschland GmbH, 2023) Rajesh Kumar Mundotiya; Praveen Gatla; Nikita Kanwar; Anil Kumar Singh
Monolingual corpora and similar language resources are vastly available for a few languages. These resources stimulate the exploration and building of potential NLP tools for new languages or dialects. This paper deals with the part-of-speech (POS) tagging for the Indo-Aryan languages, i.e., Magahi, Maithili, and Bhojpuri, a dialect of Hindi. The POS model is trained by BiLSTM-CRF and explores the effectiveness of Word2Vec, GloVe as word and FastText, and BPE as subword-level embeddings, trained on the raw corpus of these languages. All these languages are dialects of Hindi; hence, multilingual embedding at the BPE level has been evaluated. Better results are obtained than with monolingual BPE embedding. However, the best results have been obtained from word embeddings, i.e., GloVe on Maithili and Magahi, with 81.23% and 82.24%, respectively. © 2023, The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd.
Discovery of novel CDK4/6 inhibitors from fungal secondary metabolites
(Elsevier B.V., 2024) Abhijit Debnath; Rupa Mazumder; Rajesh Kumar Singh; Anil Kumar Singh
The development of targeted therapies for breast cancer, particularly those focusing on cyclin-dependent kinases 4/6 (CDK4/6), has significantly improved patient outcomes. However, the currently approved CDK4/6 inhibitors are associated with various side effects, underscoring the need for novel compounds with enhanced efficacy and safety profiles. This study aimed to identify potential CDK4/6 inhibitors from MeFSAT, a database of fungal secondary metabolites using an in-silico screening approach. The virtual screening process incorporated drug-likeness filters, ADME and toxicity predictions, consensus molecular docking, and 200 ns molecular dynamics simulations. Out of 411 initial compounds, two molecules demonstrated favorable binding interactions and stability with the CDK4/6 protein complex. The MTT assay showed that MSID000025 had dose-dependent cytotoxicity against MCF7 breast cancer cells. This suggests that MSID000025 could be a good candidate CDK4/6 inhibitor for treating breast cancer. Our study highlights the potential of fungal secondary metabolites as a source of novel compounds for drug discovery. It provides a framework for identifying CDK4/6 inhibitors with improved therapeutic properties. © 2024 Elsevier B.V.
Discovery of novel HBV core protein inhibitors by high throughput virtual screening
(Nature Research, 2025) Jahanvi Sanchitra; Abhijit Debnath; Anil Kumar Singh; A. K. Jha; Rajesh Kumar Singh
Hepatitis B Virus (HBV) constitutes a chronic viral infection with limited therapeutic options and a significant global health challenge. The virus lifecycle intricacy significantly relies on the core protein crucial for virus structure stability and interaction with host cells thus contributing to the infection’s persistence and severity. This study employs advanced techniques for the identification of novel core protein inhibitors through the screening of two chemical databases ZINC and BIMP utilizing computational methods such as structure-based virtual screening, drug-likeness, ADME, toxicity, consensus molecular docking, density functional theory, and 100 ns molecular dynamics simulation. The compound ZINC00674395 possesses high affinity and specificity towards core protein demonstrating drug-like properties, favorable ADME profiles, non-toxicity, and favorable electronic configuration with high stability at the core protein active site thus highlighting its potential as a therapeutic agent. These findings offer new insights into core protein interaction and pave the way for developing effective HBV therapeutics. © The Author(s) 2025.
Effect of geomagnetic storm intensity on the occurrence rate of large-scale ionospheric irregularities across various latitudes
(Elsevier Ltd, 2025) Mukulika Mondal; Jitesh Barman; Anil Kumar Singh
In the present study, we have investigated the effect of geomagnetic storms of varying intensity [moderate (−100 nT < disturbance storm time index (Dst) < -70 nT), intense (-150nT < Dst < -100 nT), severe (-150nT < Dst < -250nT), and super (Dst < -250nT)] recorded in the increasing phase of the 25th solar cycle between January 2021 and February 2025 on the occurrence of the large-scale ionospheric irregularities across low latitude to sub-auroral regions [low latitude, IISC (130N, 77.570E; dip latitude: 4.90N); beyond EIA station, Varanasi (25.310N, 82.970E; dip latitude: 16.20N); mid-latitude, POL2 (42.680N, 74.690E; dip latitude: 34.50N); sub auroral, NOVM (550N, 82.900E; dip latitude: 46.20N)] using rate of change of Total electron content (TEC) index (ROTI). At low latitudes, the generation of irregularities was observed when the Dst minimum occurs at local post-midnight hours, irrespective of storm intensity, due to the upward F-layer drift under the influence of the eastward prompt penetration electric field (PPEF). Over mid-latitudes, the irregularities were suppressed during the main phase, which could be associated with the effect of the westward disturbance dynamo electric field (DDEF) induced by the change in the thermospheric O/N2ratio. Irregularity generations are more frequent over high latitudes during the main and recovery phases of storms due to the formation of polar patches related to particle precipitation. From the overall analysis, the ROTI occurrence rate shows an increasing pattern with increasing storm intensity levels over IISC, but decreases during highly disturbed geomagnetic conditions (superstorms). Over Varanasi and POL2, the storm intensity does not exhibit significant variation in the ROTI occurrence rate. Contrastingly, the ROTI occurrence rate increases with increasing storm intensity over NOVM. © 2025 COSPAR. Published by Elsevier B.V. All rights are reserved, including those for text and data mining, AI training, and similar technologies.
Effect of heat stress during flowering and pod formation in pea (Pisum sativum L.)
(Springer, 2020) Chinmayee Mohapatra; Ramesh Chand; Jitendra Kumar Tiwari; Anil Kumar Singh
Heat stress is a major constraint of yield in grain legumes including peas. Increasing global warming and human population now urge to develop climate resilient varieties. The present experiment was conducted over 2 years to evaluate the heat tolerance of 211 pea genotypes. In the present study, the field pea genotypes showed a wide variation for reproductive stage heat stress (RSHS) quantitative traits. Significant positive correlations were found between no. of seeds per plant and no. of pods per plant; seed diameter (mm) and 25-seed weight (g) in heat tolerant as well as heat susceptible genotypes. Principal component analysis revealed two major principal components contributed approximately 91% of total variations and heat tolerant and susceptible genotypes separately formed two major clusters. Stepwise multiple regression analysis revealed that no. of seeds per plant was the best predictor for no. of pods per plant. On the basis of four RSHS traits, the most prominent heat tolerant pea genotypes identified in the present study JP-625, IARI-2877, PMR-38 II, EC-318760, EC-328758 and IARI-2904 would better combat RSHS and provide yield stability under changing climatic conditions. © 2020, Prof. H.S. Srivastava Foundation for Science and Society.
Employment of CEPEX enclosures for monitoring toxicity of Hg and Zn on in situ structural and functional characteristics of algal communities of river ganga in Varanasi, India
(1990) L.C. Rai; Anil Kumar Singh; Nirupama Mallick
Effects of Hg and Zn on in situ nitrogen fixation, autotrophic index, pigment diversity, 14CO2 uptake, and change in algal community structure of Ganges water have been studied for the first time using CEPEX chambers in aquatic ecosystem of India. A concentration-dependent decrease in in situ nitrogenase activity of Ganges water with Hg and Zn has been noticed. No ethylene production was observed at 0.8 μg/ml of Hg. However, an increase in the autotrophic index was observed in CEPEX enclosures treated with Hg and Zn. The AI value was maximum at 0.8 μg/ml Hg after an incubation of 15 days. An increase in pigment diversity also followed the pattern of AI with the test metals used. Inhibition of 14CO2 uptake of phytoplankton of Ganges water was maximum at 0.8 μg/ml Hg (79%) followed by Zn (69%). Carbon fixation showed an increase for 1 hr, after which no appreciable change was noticed. Maximum inhibition of algal number was observed at 0.8 μg/ml Hg followed by 8.0 μg/ml of Zn in the CEPEX chamber. Members of Chlorophyceae showed more tolerance than Cyanophyceae and Bacillariophyceae. The filamentous forms were more tolerant to Hg and Zn. In contrast, unicellular forms were more sensitive to Hg. The test of significance (ANOVA) showed that metal-induced variations in pigment diversity, the autotrophic index, and the 14CO2 uptake were highly significant (P < 0.001). © 1990.
Environmental adaptation of small-seeded lentils (Lens culinaris) in Indian climates: Insights into crop–environment interactions, mega-environments, and breeding approaches
(John Wiley and Sons Inc, 2025) Ashok Kumar S. Parihar; Shailesh K. Tripathi; Kali Krishna Hazra; Amrit Lamichaney; Debjyoti Sen Gupta; Jitendra Kumar; Anil Kumar Singh; Jai Dev Sharma; Parvez Sofi; Ajaz A. Lone; S. Samuel Jeberson; Ashok M.Praveen Kumar; Sarvjeet P. Singh; Harsh Kumar Dikshit; Murlidhar Aski; Sumer Singh Punia; Manoj Katiyar; Anil Kumar Singh; Subhash Chandra; Chandra Shekhar Mahto; Hironya Kumar Borah; Amitava Banerjee; Arpita K. Das; Deepak V. Singh; Sanjeev K. Gupta; Girish Prasad Dixit
This study aimed to evaluate the impact of diverse environments on agronomic traits of small-seeded lentils in India and to identify strategic environment(s) for crop improvement using empirical approaches. Sixteen small-seeded lentil genotypes were tested across 16 locations, covering North Hill Zone (NHZ), North Western Plain Zone (NWPZ), and North Eastern Plain Zone (NEPZ). Crop yield exhibited a quadratic response to maximum temperature during flowering (TMAXF) and minimum temperature during reproductive period (TMINRP), indicating that both higher and lower TMAXF (optimal = 23.5°C) and TMINRP (optimal = 12.0°C) negatively affected yield. Low temperatures extended crop duration, and correlation analysis confirmed that environment-induced variations in vegetative or maturity periods significantly influenced yield, as further validated by regression models and principal component analysis. While an extended reproductive period increased seed weight, its association with grain yield was non-significant. Among the tested zones, NWPZ recorded the highest average yield (1359 kg ha−1), while NEPZ (1269 kg ha−1) demonstrated greater yield consistency across locations. Genotype, environment, and genotype-by-environment interaction (GEI) contributed 6%, 53%, and 36% of the total yield variation, respectively. Biplot analysis identified three distinct mega-environments, with Durgapura (NWPZ), Varanasi (NEPZ), Faizabad (NEPZ), and Berthin (NHZ) emerging as ideal testing sites. This study highlights the significant influence of diverse agroclimatic conditions on crop yield and emphasizes the need for region-specific breeding to harness positive GEI (at mega-environment scale) and to prioritize early flowering and optimal seed traits to achieve broader adaptability across Indian climates. © 2025 The Author(s). Crop Science © 2025 Crop Science Society of America.
Evaluation of molecular markers linked to fragrance and genetic diversity in Indian aromatic rice
(Turkiye Klinikleri Journal of Medical Sciences, 2015) Ved Prakash Rai; Anil Kumar Singh; Hemant Kumar Jaiswal; Sheo Pratap Singh; Ravi Pratap Singh; Showkat Ahmad Waza
DNA-based markers have the potential to improve the efficiency and precision of breeding programs based on markerassisted selection. In the present study we evaluated the predictive abilities of previously reported PCR-based simple sequence repeat and functional markers related to fragrance in a set of 24 rice genotypes, including traditional basmatis, evolved basmatis, and aromatic indigenous landraces. High-resolution melting analysis with 3 markers was also performed to detect the presence of SNPs and length polymorphism in monomorphic amplicons. All genotypes showed expected marker patterns according to their fragrance classification except 5 fragrant genotypes: Kalanamak 3119, Kasturi Basmati, Basmati LC 74-3, Thurunbhog, and Jeeraga Samba. The genetic diversity analysis based on fragrance locus grouped the genotypes broadly into 2 major clusters representing fragrant and nonfragrant genotypes. Kalanamak 3119, Kasturi Basmati, and Basmati LC 74-3 comprised the fragrant cluster, while Thurunbhog and Jeeraga Samba clustered with nonfragrant genotypes. None of the functional markers could identify these 5 genotypes as fragrant, which supports the assumption of the existence of a second gene for fragrance in rice. Our work validates previously identified markers, namely nksbad2, L06, BADEX7-5, and ESP + IFAP + INSP + EAP, suitable for use in marker-assisted selection programs. © TÜBİTAK.
Exploration of phytoconstituents of Medhya Rasayana herbs to identify potential inhibitors for cerebroside sulfotransferase through high-throughput screening
(Frontiers Media SA, 2024) Nivedita Singh; Anil Kumar Singh
Cerebroside sulfotransferase (CST) is a key enzyme in sulfatide biosynthesis and regulation of the myelin sheath in the nervous system. To counter sulfatide accumulation with the deficiency of aryl sulfatase A, CST is considered a target protein in substrate reduction therapy in metachromatic leukodystrophy. In this study, 461 phytoconstituents from four herbs of Medhya Rasayana were screened using multi-pronged virtual screening methods including molecular docking, molecular dynamics (MD) simulation, and reverse pharmacophore analysis. The initial screening of the top 15 hits was based on the binding affinity of the compounds toward the CST substrate-binding site using the lowest free energy of a binding score cutoff of ≤ −7.5 kcal/mol, with the number of conformations in the largest cluster more than 75. The absorption, distribution, metabolism, and excretion (ADME) and toxicity-based pharmacokinetic analysis delivered the top four hits: 18alpha-glycyrrhetinic acid, lupeol, alpha carotene, and beta-carotene, with high blood–brain barrier permeability and negligible toxicity. Furthermore, a 100-ns simulation of protein–ligand complexes with a trajectory analysis of structural deviation, compactness, intramolecular interactions, principal component analysis, free energy landscape, and dynamic cross-correlation analysis showed the binding potential and positioning of the four hits in the binding pocket. Thus, an in-depth analysis of protein–ligand interactions from pre- and post-molecular dynamics simulation, along with reverse pharmacophore mapping, suggests that 18alpha-glycyrrhetinic acid is the most potent and specific CST inhibitor, while beta-carotene could be considered the second most potent compound for CST inhibition as it also exhibited overall stability throughout the simulation. Therefore, the computational drug screening approach applied in this study may contribute to the development of oral drugs as a therapeutic option for metachromatic leukodystrophy. Copyright © 2024 Singh and Singh.
Formulation development, physico-chemical characterization and evaluation of anti-microbial activity of herbal tooth gel
(Journal of Chemical and Pharmaceutical Research, 2014) Mridul Haque; Anil Kumar Singh; Santosh K. Maurya; Ankit Seth
Several synthetic drugs have been evaluated over the years for their antimicrobial effect in oral cavity; however, all are associated with numerous side effects that prohibit their regular long term use. Natural remedies are more acceptable in the belief that they are safer with fewer side effects than the synthetic ones. Therefore the objective of the current research was to formulate, characterize and evaluate a gel based dental which is more stable in terms of rheological behaviour, long term protection and stability in diverse conditions with minimum adverse effects. Antimicrobial activity of the formulated dental gel was carried out by disc diffusion method and was compared for antimicrobial activity with Ciprofloxacin (5μg/disc) as standard. The formulated batches F2 (5%) and F4 (10%) showed significant zone of inhibition. Formulated batch F4 (10%) gel showed maximum zone of inhibition.
GC-MS and NMR spectroscopy based metabolite profiling of Panchvalkal kwath (polyherbal formulation)
(Taylor and Francis Ltd., 2023) Pratistha Singh; Renuka Ranjan; Ruchita Tripathi; Jyoti Dixit; Neeraj Sinha; Anil Kumar Singh; Kavindra Nath Tiwari
Panchvalkal kwath (PK) is a bark formulation of five pharmacologically important plants, i.e., Ficus benghalensis, Ficus racemosa, Ficus religiosa, Thespesia populnea, and Ficus lacor. The Ayurvedic formulation is being used since ancient times to cure diabetes, bacterial infections and heal wounds. The present study aims to identify the metabolite profiles of PK which could explain its properties and its mode of action against specific diseases and disorders. The aqueous extract of Panchvalkal is prepared through a hot maceration process. The extract is subjected to preliminary identification of phytoconstituents and FTIR spectroscopy to recognize functional groups. GC-MS analysis reveals that the extract is enriched with 24-Norursa-3,12-diene (25.16%); Lup-20(29)-en-3-one (16.76%); 2-methyl-3-(4-propan-2-ylphenyl) propanal (7.04%); 2-(hydroxymethyl)-2-nitropropane-1,3-diol (11.21%) and 3,5-dihydroxy-6-methyl-2,3-dihydropyran-4-one (4.15%). The presence of three new phytocompounds that are 4-(hydroxymethyl)-7-methyl-1,3-dioxepane-5,6-diol; 1-(4-isopropylphenyl)-2-methylpropylacetate and 4,4,6 A,6B,8A,11,11,14B-octamethyl-1,4,4A,5,6,6A,8,8a,910,11,12,12a,12b,13,14,14a,14b-ctadecahydro-3(2H)-picenone are detected in the extract. Metabolite profiles of the extract also constitute isoeugenol, stigmasterol, ergosterol, ocimene, myrcene, squalene, sphingosine, betulin, methyl ferulate and cis-jasmone, which are unraveled by 1 D 1H and 2 D 1H-13C HSQC NMR spectroscopy. This article focuses on the presence of different phytocompounds in PK in order to demonstrate its efficacy as a therapeutic formulation for a variety of diseases. © 2021 Informa UK Limited, trading as Taylor & Francis Group.