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Article ; Online: Theoretical investigations of free energy of binding and chiral recognition studies of (R)- and (S)-Noradrenaline towards β-cyclodextrin.

Karthikeyan, Murugesan / Dhinesh Kumar, Marimuthu / Kaniraja, Ganesan / Karunakaran, Chandran

Journal of molecular graphics & modelling

2023 Volume 124, Page(s) 108552

Abstract: ... also used in chiral separation. So, in this theoretical investigation, the R/S-Noradrenaline (R/S-NA ... R/S forms were first docked into the cavity of β-CD giving host-guest complexes with the free energy ... of binding for S-NA (-4.81 kcal/mol) larger than R-NA (-4.53 kcal/mol). The host-guest inclusion 1:1 ...

Abstract	Noradrenaline (NA), one of the important excitatory catecholamine neurotransmitters, is used as a medication for Parkinson's Disease (PD). The β-cyclodextrin (β-CD) is one of the most effective drug carrier & also used in chiral separation. So, in this theoretical investigation, the R/S-Noradrenaline (R/S-NA) forms binding & chiral recognition mechanisms and energies with β-CD were explored. Using the AutoDock, R/S forms were first docked into the cavity of β-CD giving host-guest complexes with the free energy of binding for S-NA (-4.81 kcal/mol) larger than R-NA (-4.53 kcal/mol). The host-guest inclusion 1:1 complexes between R/S-NA and β-CD have been also modeled and optimized with ONIOM2 (B3LYP/6-31g++DP: PM6) method by using the Gaussian software. Further, frequency calculations were carried out to obtain the free energies. In comparison to the R-NA (-54.59 kcal/mol), it was observed that the S-NA (-56.48 kcal/mol) with β-CD is more stable. Furthermore, the H-bond results from molecular dynamics simulation revealed that S-NA/β-CD was more stable than R-NA/β-CD. In addition, the thermodynamic properties, vibrational analysis (IR), HOMO-LUMO band gap energy, inter molecular hydrogen bond interactions, and conformational analysis were investigated for both the R/S forms to support & compare the stability of the inclusion complex. These inclusion & high stability of S-NA/β-CD and in turn its theoretical chiral recognition behavior observed agreeing well with the reported NMR experimental data have implications in drug delivery and chiral separation research.
MeSH term(s)	Norepinephrine/chemistry ; beta-Cyclodextrins/chemistry ; Molecular Conformation ; Models, Molecular ; Molecular Dynamics Simulation ; Hydrogen Bonding ; Thermodynamics ; Vibration
Chemical Substances	Norepinephrine (X4W3ENH1CV) ; beta-Cyclodextrins
Language	English
Publishing date	2023-06-17
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	1396450-1
ISSN	1873-4243 ; 1093-3263
ISSN (online)	1873-4243
ISSN	1093-3263
DOI	10.1016/j.jmgm.2023.108552
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Article ; Online: Insecticidal Potential of Matricaria chamomilla’s Essential Oil and Its Components (E)-β-Farnesene, Germacrene D, and α-Bisabolol Oxide A against Agricultural Pests, Malaria, and Zika Virus Vectors

Al-Ghanim, Khalid A. / Krishnappa, Kaliyamoorthy / Pandiyan, Jeganathan / Nicoletti, Marcello / Gurunathan, Baskar / Govindarajan, Marimuthu

Agriculture. 2023 Mar. 28, v. 13, no. 4

2023

Abstract: ... Bisabolol oxide A exhibited a relevant maximum toxic effect on the target pest’s third-instar larvae ... values for S. sarasinorum and G. affinis ranged from 922.65 to 1750.49 µg/mL. M. chamomilla EO and ...

Abstract	Agricultural and medical insect pests are damaging edible crops, spreading diseases, and harming non-target fauna and flora. Prominent polyphagous insect pests harass farmers in the agronomy sector, causing uncountable revenue corrosion. Ecofriendly phytopesticides can avoid the consequences of the bulk usage of synthetic chemicals. In this study, the toxic effect on third-instar larvae of four different insect species (Spodoptera litura, Helicoverpa armigera, Aedes vittatus, and Anopheles subpictus) and the bio-toxicity on non-target fauna (NTF) (Stegodyphus sarasinorum and Gambusia affinis) were evaluated using Matricaria chamomilla (Mc) essential oil (EO) and its major phytoconstituents (Mc-MPCs). GC–MS analysis of the studied M. chamomilla EO gathered 39 constituents, with (E)-β-Farnesene (24.3%), Germacrene D (9.4%), and α-Bisabolol oxide A (10.2%) accounting for the major constituents. Remarkable larval death was seen in H. armigera and Ae. vittatus. In addition, (E)-β-Farnesene, Germacrene D, and α-Bisabolol oxide A exhibited a relevant maximum toxic effect on the target pest’s third-instar larvae. The bio-toxicity of M. chamomilla EO and Mc-MPCs was tested on terrestrial and aquatic NTF. The LC₅₀ values for S. sarasinorum and G. affinis ranged from 922.65 to 1750.49 µg/mL. M. chamomilla EO and its MPCs evidenced prospective phytopesticidal efficiency on selected agricultural and medical insect pests.
Keywords	Aedes vittatus ; Anopheles subpictus ; Gambusia affinis ; Helicoverpa armigera ; Matricaria chamomilla ; Spodoptera litura ; Zika virus ; agriculture ; agronomy ; chemical constituents of plants ; corrosion ; death ; essential oils ; fauna ; flora ; germacrene ; income ; insecticidal properties ; insects ; larvae ; malaria ; pests ; toxicity
Language	English
Dates of publication	2023-0328
Publishing place	Multidisciplinary Digital Publishing Institute
Document type	Article ; Online
ZDB-ID	2651678-0
ISSN	2077-0472
ISSN	2077-0472
DOI	10.3390/agriculture13040779
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Article ; Online: Sustainable Business Practices and Firm’s Financial Performance in Islamic Banking

Amin Jan / Maran Marimuthu / Rohail Hassan / Mehreen

Sustainability, Vol 11, Iss 23, p

Under the Moderating Role of Islamic Corporate Governance

2019 Volume 6606

Abstract: ... sustainable business practices and the firm’s financial performance. A post-crisis period sustainability data ... The results of the study found that the link between sustainable business practices with the firm’s financial ... performance measured from the shareholders’ and the management’s perspective is positive, while the subjected ...

Abstract	This paper examines the moderating role of Islamic corporate governance on the link between sustainable business practices and the firm’s financial performance. A post-crisis period sustainability data for the decade of 2008−2017 was collected by the study. For data collection, this study used the weighted content method. The Generalized Method of Moments (GMM) statistical test was used for empirical testing. The results of the study found that the link between sustainable business practices with the firm’s financial performance measured from the shareholders’ and the management’s perspective is positive, while the subjected link measured from the market perspective was found to be insignificant. This implies that the market stakeholders of the Islamic banks are reluctant for their bank’s spending on sustainable business practices. Interestingly, the insignificant link between sustainable business practices and market performance became significant with the moderating role of Shariah governance and managerial ownership. It shows that the moderating role of Shariah governance and managerial ownership is giving confidence to market stakeholders of Islamic banks for receiving a higher financial return through sustainable business practices initiatives. These results may provide insights for several policymakers of the Islamic banking industry about integrating vital sustainability practices in their business models and about the balanced moderating role of Islamic corporate governance in the link between sustainable business practice and the firm’s financial performance. It provides a roadmap to the Islamic banking industry for efficient management of sustainability practices from an Islamic perspective and subsequently improvement of financial performance through it.
Keywords	firm’s financial performance ; sustainability practices ; islamic corporate governance ; Environmental effects of industries and plants ; TD194-195 ; Renewable energy sources ; TJ807-830 ; Environmental sciences ; GE1-350
Subject code	650 ; 690
Language	English
Publishing date	2019-11-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Optimized Tree Strategy with Principal Component Analysis Using Feature Selection-Based Classification for Newborn Infant’s Jaundice Symptoms

Debabrata Samanta / M. P. Karthikeyan / Marimuthu Karuppiah / Dalima Parwani / Manish Maheshwari / Piyush Kumar Shukla / Stephen Jeswinde Nuagah

Journal of Healthcare Engineering, Vol

2021 Volume 2021

Abstract: One of the most important and difficult research fields is newborn jaundice grading. The mitotic count is an important component in determining the severity of newborn jaundice. The use of principal component analysis (PCA) feature selection and an ... ...

Abstract	One of the most important and difficult research fields is newborn jaundice grading. The mitotic count is an important component in determining the severity of newborn jaundice. The use of principal component analysis (PCA) feature selection and an optimal tree strategy classifier to produce automatic mitotic detection in histopathology images and grading is given. This study makes use of real-time and benchmark datasets, as well as specific approaches for detecting jaundice in newborn newborns. According to research, the quality of the feature may have a negative impact on categorization performance. Additionally, compressing the classification method for exclusive main properties can result in a classification performance bottleneck. As a result, identifying appropriate characteristics for training the classifier is required. By combining a feature selection method with a classification model, this is possible. The major outcomes of this study revealed that image processing techniques are critical for predicting neonatal hyperbilirubinemia. Image processing is a method of translating analogue images to digital formats and manipulating them. The primary goal of medical image processing is to collect information useful for disease detection, diagnosis, monitoring, and therapy. Image datasets can be used to validate the performance of newborn jaundice detection. When compared to conventional approaches, it offers results that are accurate, quick, and time efficient. Accuracy, sensitivity, and specificity, which are common performance indicators, were also predictive.
Keywords	Medicine (General) ; R5-920 ; Medical technology ; R855-855.5
Subject code	006 ; 004
Language	English
Publishing date	2021-01-01T00:00:00Z
Publisher	Hindawi Limited
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article: sFRP-mediated Wnt sequestration as a potential therapeutic target for Alzheimer’s disease

Warrier, Sudha / Anjan Kumar Das / Arun Dharmarajan / Frank Arfuso / G. Bhuvanalakshmi / Raja Marimuthu / Ralph Martins / Ramesh Bhonde / Sreeja Sekhar

Elsevier Ltd international journal of biochemistry & cell biology. 2016 June, v. 75

2016

Abstract: ... such as Alzheimer’s disease (AD), a decrease of the intracellular Wnt effector, β-catenin, has been linked to amyloid-β ... probed so far as molecular indicators of disease occurrence and progression of Alzheimer’s. Unlike ...

Abstract	The extracellular ligand, Wnt, and its receptors are involved in sign al transduction and play an important role in axis formation and neural development. In neurodegenerative disorders such as Alzheimer’s disease (AD), a decrease of the intracellular Wnt effector, β-catenin, has been linked to amyloid-β-peptide-induced neurotoxicity. Despite this knowledge, targeting Wnt inhibitors as potential biomarkers has not been explored, and harnessing Wnt activators as therapeutic candidates remains largely not investigated. A wide acting family of Wnt mediators, secreted frizzled-related proteins (sFRPs), has not been probed so far as molecular indicators of disease occurrence and progression of Alzheimer’s. Unlike the effect of the Dickkopf (DKK) family of Wnt antagonists on AD, the sFRP molecules have a more pleiotropic impact on the Wnt signaling cascade and probably have a far-reaching involvement in neurodegeneration. The role of sFRPs has been poorly described in AD, and in this review, we analyze the present status of the role of sFRPs on neurodegeneration, their likely involvement, and potential implications in treatment modalities of AD. This information would provide valuable clues for the development of potential therapeutic targets for aberrant neurodegenerative disorders.
Keywords	Alzheimer disease ; antagonists ; biomarkers ; disease occurrence ; ligands ; neurodegenerative diseases ; neurodevelopment ; neurotoxicity ; receptors
Language	English
Dates of publication	2016-06
Size	p. 104-111.
Publishing place	Elsevier Ltd
Document type	Article
ZDB-ID	1228429-4
ISSN	1878-5875 ; 1357-2725
ISSN (online)	1878-5875
ISSN	1357-2725
DOI	10.1016/j.biocel.2016.04.002
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Article: Molecular screening of insecticides with sigma glutathione S-transferases (GST) in cotton aphid Aphis gossypii using docking.

Gawande, Nilesh Dinkar / Subashini, Swaminathan / Murugan, Marimuthu / Subbarayalu, Mohankumar

Bioinformation

2014 Volume 10, Issue 11, Page(s) 679–683

Abstract: Glutathione S-transferases (GSTs) are one of the major families of detoxifying enzymes ... Glutathione S transferases (GSTs), an oxidative enzyme is understood to have a role in insecticide resistance ...

Abstract	Glutathione S-transferases (GSTs) are one of the major families of detoxifying enzymes that detoxifies different chemical compounds including insecticides in different insect species. Among the GST subclasses, sigma GSTs are found to be the most abundant and conserved among different insect orders. These GSTs are found to play an important role in lipid peroxidation as well as detoxification. Cotton aphid, Aphis gossypii is the most damaging sucking pest with a wide range of hosts and vector of more than 50 plant viruses. Resistance to insecticides in A. gossypii is reported in India and in other countries. Glutathione S transferases (GSTs), an oxidative enzyme is understood to have a role in insecticide resistance and plant resistance breakdown. In relation to this, we have focused on the sigma 1 (GenBank Accession No: JN989964.1) and sigma 2 (GenBank Accession No: JN989965.1) GSTs of A. gossypii and their interaction with plant natural compounds and insecticides. Molecular screening of different insecticides (Chlorphinamidine, Mevinphos, Nitenpyrum, Piperonyl butoxide, Tetrachlorovinphos, Pyrethrins, Resmetrin, Pirimicarb and Dinotefuran) and known plant derived natural compounds (Catechin, Gossypol, Myrcene, Kaempferol, P-coumaric acid, Quercetin, Tannins, α-mangostin, Capsaicin, Cinnamic acid, Citronellal, Curcumin, Dicumarol, Ellagic acid, Eugenol, Geriniol, Isoeugenol, Juglone, Menadione, Methyl jasmonate, Morin, Myricetin, Myristicin, Piperine, Plumbagin, Tangitinin C, Thymol, Vanillin, Alpha pipene, α-terpineol Apigenin and β-Caryophyllene) with sigma 1 and sigma 2 GST protein models was completed using Maestro 9.3 (Schrodinger, USA). This exercise showed the binding of piperonyl butoxide with sigma 1 GST and tannin with sigma 2 GST for further consideration.
Language	English
Publishing date	2014-11-27
Publishing country	Singapore
Document type	Journal Article
ZDB-ID	2203786-X
ISSN	0973-2063
ISSN	0973-2063
DOI	10.6026/97320630010679
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Article: Correction to: Brevibacillus laterosporus isolated from the digestive tract of honeybees has high antimicrobial activity and promotes growth and productivity of honeybee’s colonies

Khaled, Jamal M / Ahmed S. Alobaidi / Anwar H. Sharafaddin / Fahd A. Al-Mekhlafi / Giovanni Benelli / Khalid E. Alzaharni / Marimuthu Govindarajan / Naiyf S. Alharbi / Noofal I. Bayaqoob / Ramzi A. Mothana / Shine Kadaikunnan

Environmental science and pollution research international. 2018 Aug., v. 25, no. 24

2018

Abstract: The original publication of this paper contains a mistake. The correct affiliation no. 3 is shown in this paper. ...

Abstract	The original publication of this paper contains a mistake. The correct affiliation no. 3 is shown in this paper.
Keywords	antimicrobial properties ; Brevibacillus laterosporus ; digestive tract ; honey bees
Language	English
Dates of publication	2018-08
Size	p. 24516.
Publishing place	Springer Berlin Heidelberg
Document type	Article
Note	Published Erratum
ZDB-ID	1178791-0
ISSN	1614-7499 ; 0944-1344
ISSN (online)	1614-7499
ISSN	0944-1344
DOI	10.1007/s11356-018-2721-8
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Article: Brevibacillus laterosporus isolated from the digestive tract of honeybees has high antimicrobial activity and promotes growth and productivity of honeybee’s colonies

Khaled, JamalM / Fahd A. Al-Mekhlafi / Ramzi A. Mothana / Naiyf S. Alharbi / Khalid E. Alzaharni / Anwar H. Sharafaddin / Shine Kadaikunnan / Ahmed S. Alobaidi / Noofal I. Bayaqoob / Marimuthu Govindarajan / Giovanni Benelli

Environmental science and pollution research international. 2018 Apr., v. 25, no. 11

2018

Abstract: ... to promote honeybee’s growth, represents major challenges for modern entomology. The main aim of this study ...

Abstract	The development of novel antimicrobial drugs, as well as the discovery of novel compounds able to promote honeybee’s growth, represents major challenges for modern entomology. The main aim of this study was to investigate whether Brevibacillus laterosporus isolated from the digestive tract of Saudi honeybees, Apis mellifera, was able to stimulate colony strength parameters of honeybees and to evaluate its ability to produce antimicrobial agents. Honeybees were collected in Dirab, Riyadh Region, Saudi Arabia, and microorganisms were isolated and identified by 16S ribosomal RNA analysis. Microscopic identification of the microorganism in its native state was facilitated by atomic force microscopy at high-resolution imaging. Active biological compounds were produced by submerged fermentation with B. laterosporus. The fermented broth was subjected to extraction and purification, and then semi-pure compounds were analyzed by gas chromatography–mass spectrometry. The effectiveness of the crude extract and semi-pure compounds as antimicrobial agents was evaluated by susceptibility assays. More than 22% of the microorganisms isolated from the digestive tract of healthy honeybees have been identified as B. laterosporus, this kind of species has a unique shape and morphological structure. The cyclic dipeptide cyclo(Leu-Pro) produced by B. laterosporus showed biological activity against several pathogenic microorganisms. Furthermore, the total counts of workers, closed brood, and open brood, as well as the production of bee pollen and honey, were better in honeybees treated with a B. laterosporus suspension. The data indicated that the B. laterosporus strain isolated from a healthy honeybee might be a novel probiotic and a producer of important biological compounds.
Keywords	Apis mellifera ; Brevibacillus laterosporus ; anti-infective agents ; antimicrobial properties ; atomic force microscopy ; bee pollen ; digestive tract ; drugs ; entomology ; gas chromatography-mass spectrometry ; honey ; honey bees ; image analysis ; probiotics ; ribosomal RNA ; submerged fermentation ; Saudi Arabia
Language	English
Dates of publication	2018-04
Size	p. 10447-10455.
Publishing place	Springer Berlin Heidelberg
Document type	Article
ZDB-ID	1178791-0
ISSN	1614-7499 ; 0944-1344
ISSN (online)	1614-7499
ISSN	0944-1344
DOI	10.1007/s11356-017-0071-6
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Article: Classification of 5-S Epileptic EEG Recordings Using Distribution Entropy and Sample Entropy.

Li, Peng / Karmakar, Chandan / Yan, Chang / Palaniswami, Marimuthu / Liu, Changchun

Frontiers in physiology

2016 Volume 7, Page(s) 136

Abstract: ... protocols to select 5 s EEG segment for classifying interictal and ictal EEG from normal. We used ... of 4097 sampling points (23.6 s) per record. In this study, we selected three segments of 868 points (5 s ...

Abstract	Epilepsy is an electrophysiological disorder of the brain, the hallmark of which is recurrent and unprovoked seizures. Electroencephalogram (EEG) measures electrical activity of the brain that is commonly applied as a non-invasive technique for seizure detection. Although a vast number of publications have been published on intelligent algorithms to classify interictal and ictal EEG, it remains an open question whether they can be detected using short-length EEG recordings. In this study, we proposed three protocols to select 5 s EEG segment for classifying interictal and ictal EEG from normal. We used the publicly-accessible Bonn database, which consists of normal, interical, and ictal EEG signals with a length of 4097 sampling points (23.6 s) per record. In this study, we selected three segments of 868 points (5 s) length from each recordings and evaluated results for each of them separately. The well-studied irregularity measure-sample entropy (SampEn)-and a more recently proposed complexity measure-distribution entropy (DistEn)-were used as classification features. A total of 20 combinations of input parameters m and τ for the calculation of SampEn and DistEn were selected for compatibility. Results showed that SampEn was undefined for half of the used combinations of input parameters and indicated a large intra-class variance. Moreover, DistEn performed robustly for short-length EEG data indicating relative independence from input parameters and small intra-class fluctuations. In addition, it showed acceptable performance for all three classification problems (interictal EEG from normal, ictal EEG from normal, and ictal EEG from interictal) compared to SampEn, which showed better results only for distinguishing normal EEG from interictal and ictal. Both SampEn and DistEn showed good reproducibility and consistency, as evidenced by the independence of results on analysing protocol.
Language	English
Publishing date	2016-04-14
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2564217-0
ISSN	1664-042X
ISSN	1664-042X
DOI	10.3389/fphys.2016.00136
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Article: Vanadium-mediated suppression of diethylnitrosamine-induced chromosomal aberrations in rat hepatocytes and its correlation with induction of hepatic glutathione and glutathione S-transferase.

Bishayee, A / Banik, S / Mandal, A / Marimuthu, P / Chatterjee, M

International journal of oncology

2011 Volume 10, Issue 2, Page(s) 413–423

Abstract: ... of bromosulfophthalein (250 mg/kg), a substrate inhibitor of glutathione S-transferase (GST), 0.5 h before DENA treatment ...

Abstract	Vanadium, a dietary micronutrient, has recently been found to possess a potent antitumor activity during chemically induced rat liver carcinogenesis. In the present study, attempts have been made to understand the basic mechanism of the antitumor response of vanadium by monitoring its effect on chromosomal aberrations (CA) in rat liver cells during the early preneoplastic steps of diethylnitrosamine (DENA)-induced hepatocarcinogenesis. Supplementary vanadium at 0.5 ppm was found to afford a unique protection against DENA-evoked CA 96 h after DENA injection. Concurrent administration of glutathione (GSH) at 200 mg/kg 2 h before DENA treatment potentiated the suppressive effect of vanadium against CA when the rats were sacrificed 96 h after the carcinogenic insult. Pretreatment nf rate with buthionine sulfoximine (890 mg/kg) and/or diethylmaleate (600 mg/kg) 0.5 or 2 h prior to DENA injection resulted in a significant inhibition of vanadium-mediated protection of CA with a concomitant fall in hepatic GSH level. Rats given injection of bromosulfophthalein (250 mg/kg), a substrate inhibitor of glutathione S-transferase (GST), 0.5 h before DENA treatment displayed a prominent suppression of the protective effect of vanadium on DENA-induced CA. Long-term supplementation of vanadium also triggered protective effect against the induction of CA 15, 30 or 45 days following DENA treatment which was maximally observed on structural aberrations followed by numerical aberrations. At these time points, vanadium was found to lower the mitotic index of hepatic cells which was otherwise elevated with DENA alone. Vanadium restored DENA-dependent decrement in the ratio of polychromatic erythrocytes (PCE) to normochromatic erythrocytes (NCE) in rat liver cells. The DENA-induced increased frequency of micronucleated PCE as well as NCE was also attenuated following vanadium supplementation. The anticlastogenic effect of vanadium was found to be parallel to its ability to induce the activity of hepatic GST with a concurrent induction of hepatic GSH pool which were rather decreased in DENA control group. The results of this study, thus, provide evidence that vanadium-dependent induction of GSH-mediated GST-catalyzed detoxificational capacity of the host is presumably related to its suppressive effect against CA. This may explain, in part, the antitumor efficacy of this trace element.
Language	English
Publishing date	2011-05-02
Publishing country	Greece
Document type	Journal Article
ZDB-ID	1154403-x
ISSN	1019-6439
ISSN	1019-6439
DOI	10.3892/ijo.10.2.413
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