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Article ; Online: Role of various cell types on asthma symptomology.

Varadharajan, Venkatramanan

The Journal of allergy and clinical immunology

2020 Volume 145, Issue 5, Page(s) 1480

MeSH term(s)	Asthma ; Bronchoconstriction ; Humans ; Mannitol ; Risk Factors
Chemical Substances	Mannitol (3OWL53L36A)
Language	English
Publishing date	2020-02-29
Publishing country	United States
Document type	Letter ; Comment
ZDB-ID	121011-7
ISSN	1097-6825 ; 1085-8725 ; 0091-6749
ISSN (online)	1097-6825 ; 1085-8725
ISSN	0091-6749
DOI	10.1016/j.jaci.2019.11.050
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Article ; Online: Cheminformatics and systems pharmacology approaches to unveil the potential plant bioactives to combat COVID-19.

Muralitharan, Dhivyadharshini / Varadharajan, Venkatramanan / Venkidasamy, Baskar

Journal of molecular recognition : JMR

2023 Volume 36, Issue 10, Page(s) e3055

Abstract: COVID-19 was a global pandemic in the year 2020. Several treatment options failed to cure the disease. Thus, plant-based medicines are becoming a trend nowadays due to their less side effects. Bioactive chemicals from natural sources have been utilised ... ...

Abstract	COVID-19 was a global pandemic in the year 2020. Several treatment options failed to cure the disease. Thus, plant-based medicines are becoming a trend nowadays due to their less side effects. Bioactive chemicals from natural sources have been utilised for centuries as treatment options for a variety of ailments. To find out the potent bioactive compounds to counteract COVID-19, we use systems pharmacology and cheminformatics. They use the definitive data and predict the possible outcomes. In this study, we collected a total of 72 phytocompounds from the medicinally important plants such as Garcinia mangostana and Cinnamomum verum, of which 13 potential phytocompounds were identified to be active against the COVID-19 infection based on Swiss Target Prediction and compound target network analysis. These phytocompounds were annotated to identify the specific human receptor that targets COVID-19-specific genes such as MAPK8, MAPK14, ACE, CYP3A4, TLR4 and TYK2. Among these, compounds such as smeathxanthone A, demethylcalabaxanthone, mangostanol, trapezifolixanthone from Garcinia mangostana and camphene from C. verum were putatively target various COVID-19-related genes. Molecular docking results showed that smeathxanthone A and demethylcalabaxanthone exhibit increased binding efficiency towards the COVID-19-related receptor proteins. These compounds also showed efficient putative pharmacoactive properties than the commercial drugs ((R)-remdesivir, favipiravir and hydroxychloroquine) used to cure COVID-19. In conclusion, our study highlights the use of cheminformatics approach to unravel the potent and novel phytocompounds against COVID-19. These phytocompounds may be safer to use, more efficient and less harmful. This study highlights the value of natural products in the search for new drugs and identifies candidates with great promise.
MeSH term(s)	Humans ; Cheminformatics ; Network Pharmacology ; COVID-19 ; Molecular Docking Simulation
Language	English
Publishing date	2023-09-02
Publishing country	England
Document type	Journal Article
ZDB-ID	1015084-5
ISSN	1099-1352 ; 0952-3499
ISSN (online)	1099-1352
ISSN	0952-3499
DOI	10.1002/jmr.3055
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Article ; Online: Synthesis of novel (

Riadi, Yassine / Afzal, Obaid / Kumar, Shashank / Varadharajan, Venkatramanan / Geesi, Mohammed H

Journal of biomolecular structure & dynamics

2024 , Page(s) 1–14

Abstract: This work describes the successful synthesis of a series of three novel thiazolidinone-carvone-O-alkyl hybrids through a two-step approach involving heterocyclization and O-alkylation reactions. Comprehensive structural characterization of the obtained ... ...

Abstract	This work describes the successful synthesis of a series of three novel thiazolidinone-carvone-O-alkyl hybrids through a two-step approach involving heterocyclization and O-alkylation reactions. Comprehensive structural characterization of the obtained products was achieved using NMR and HRMS spectroscopic techniques. This study assessed
Language	English
Publishing date	2024-03-25
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2024.2331095
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Article ; Online: Inhibition of eosinophil apoptosis by asthma-relevant cytokines from platelets.

Varadharajan, Venkatramanan

The Journal of allergy and clinical immunology

2015 Volume 136, Issue 4, Page(s) 1134

MeSH term(s)	Animals ; Asthma, Aspirin-Induced/drug therapy ; Blood Platelets/drug effects ; Bridged Bicyclo Compounds, Heterocyclic/therapeutic use ; Eosinophils/drug effects ; Humans ; Oxazoles/therapeutic use ; Piperazines/therapeutic use ; Thiophenes/therapeutic use
Chemical Substances	Bridged Bicyclo Compounds, Heterocyclic ; Oxazoles ; Piperazines ; Thiophenes
Language	English
Publishing date	2015-10
Publishing country	United States
Document type	Letter ; Comment
ZDB-ID	121011-7
ISSN	1097-6825 ; 1085-8725 ; 0091-6749
ISSN (online)	1097-6825 ; 1085-8725
ISSN	0091-6749
DOI	10.1016/j.jaci.2015.06.025
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Article ; Online: Exploration of comprehensive marine natural products database against dengue viral non-structural protein 1 using high-throughput computational studies.

Bhat, Basharat Ahmad / Algaissi, Abdullah / Khamjan, Nizar A / Dar, Tanvir Ul Hassan / Dar, Sajad Ahmad / Varadharajan, Venkatramanan / Qasir, Naif A / Lohani, Mohtashim

Journal of biomolecular structure & dynamics

2024 , Page(s) 1–10

Abstract: Dengue virus (DENV) non-structural protein 1 (NS1) is a versatile quasi-protein essential for the multiplication of the virus. This study applied high-throughput virtual screening (HTVS) and molecular dynamics (MD) simulation to detect the potential ... ...

Abstract	Dengue virus (DENV) non-structural protein 1 (NS1) is a versatile quasi-protein essential for the multiplication of the virus. This study applied high-throughput virtual screening (HTVS) and molecular dynamics (MD) simulation to detect the potential marine natural compounds against the NS1 of DENV. The structure of the NS1 protein was retrieved from Protein Data Bank with (PDB ID: 4O6B). Missing residues were added using modeler software. Molecular operating environment (MOE) programme was used to prepare the protein before docking. Virtual screening was performed on PyRx software to identify natural compounds retrieved from Comprehensive Marine Natural Products Database (CMNPD) against the NS1 protein, and best-docked compounds were examined by molecular docking and molecular dynamic (MD) simulation. Out of 31,561 marine compounds, the top 10 compounds showed docking scores lesser than -8.0 kcal/mol. One of the best hit compounds, CMNPD6802, was further analyzed using MD simulation study at 100 nanoseconds and Molecular Mechanics with Generalized Born and Surface Area Solvation (MM/GBSA). Based on its total binding energy, determined using the MM/GBSA approach, CMNPD6802 was ranked first. Its pharmacokinetic properties concerning the target protein NS1 were also evaluated. The results of the MD simulation showed that CMNPD6802 remained in close contact with the protein throughout the activation period, mapped using principal component analysis. These findings suggest that CMNPD6802 could serve as an NS1 inhibitor and may be a potential candidate for treating DENV infections.Communicated by Ramaswamy H. Sarma.
Language	English
Publishing date	2024-01-02
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2023.2297006
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Article ; Online: Isatin-based virtual high throughput screening, molecular docking, DFT, QM/MM, MD and MM-PBSA study of novel inhibitors of SARS-CoV-2 main protease.

Varadharajan, Venkatramanan / Arumugam, Gokulakrishnan Sivasundari / Shanmugam, Sethupathi

Journal of biomolecular structure & dynamics

2021 Volume 40, Issue 17, Page(s) 7852–7867

Abstract: Coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is a rapidly growing health care emergency across the world. One of the viral proteases called main protease or Mpro, plays a crucial role in the ...

Abstract	Coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is a rapidly growing health care emergency across the world. One of the viral proteases called main protease or Mpro, plays a crucial role in the replication of SARS-CoV-2. As the structure of Mpro of SARS-CoV-2 is similar to the Mpro of SARS-CoV-1 (responsible for SARS outbreak between 2002 and 2004), we hypothesize that the inhibitors of SARS-CoV-1 Mpro can also inhibit the Mpro of SARS-CoV-2. To test this hypothesis, a total of 79 isatin derivatives, which inhibited Mpro activity under
MeSH term(s)	Humans ; Coronavirus 3C Proteases ; COVID-19 Drug Treatment ; High-Throughput Screening Assays ; Isatin/pharmacology ; Ligands ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Protease Inhibitors/chemistry ; Protease Inhibitors/pharmacology ; SARS-CoV-2 ; Zinc
Chemical Substances	3C-like proteinase, SARS-CoV-2 (EC 3.4.22.-) ; Coronavirus 3C Proteases (EC 3.4.22.28) ; Isatin (82X95S7M06) ; Ligands ; Protease Inhibitors ; Zinc (J41CSQ7QDS)
Language	English
Publishing date	2021-03-25
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2021.1904003
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Article ; Online: Formulation and validation of probioticated foxtail millet laddu as a source of antioxidant for biological system using response surface methodology.

Subbaiyan, Rubavathi / Ganesan, Ayyappadasan / Varadharajan, Venkatramanan / Jeyachandran, Philip Robinson / Thangavel, Harini

Brazilian journal of microbiology : [publication of the Brazilian Society for Microbiology

2023 Volume 55, Issue 1, Page(s) 647–661

Abstract: Probiotics play a critical role in supporting a healthy gut microbiome, which significantly impacts overall health and well-being. While there has been an increase in the availability of probiotic foods in recent years, there may still be limited options ...

Abstract	Probiotics play a critical role in supporting a healthy gut microbiome, which significantly impacts overall health and well-being. While there has been an increase in the availability of probiotic foods in recent years, there may still be limited options and accessibility in certain regions. This study focused on formulating a traditional Indian sweet called laddu enriched with millet and Lactobacillus acidophilus. The formulation of laddu ingredients was optimized using Design Expert software to create an optimal product for testing. The probiotic Lactobacillus acidophilus culture was incorporated into the laddu in three forms: lyophilized, microencapsulated powder, and natural curd. The probiotic foxtail laddu was selected based on specific criteria such as color, odor, and texture. The nutritional analysis revealed that the laddu contained approximately 64.46 g of carbohydrates, 15.13 g of protein, and 5.06 g of fat per 100 g of laddu. A microbial count analysis was performed over a two-month storage period to assess the viability of the incorporated Lactobacillus acidophilus. The results showed that the lyophilized and microencapsulated culture demonstrated good viability, with counts of 6.10 ± 0.09 log CFU/g and 7.43 ± 0.02 log CFU/g, respectively, when stored at 4 °C. In comparison, storage at room temperature resulted in counts of 5.41 ± 0.08 log CFU/g and 6.97 ± 0.02 log CFU/g at the end of the storage period. Based on the findings, the probiotic millet laddu developed in this study has the potential to be a value-added food product that can enhance the overall health of consumers. Incorporating probiotics into traditional food items like laddu offers a convenient and enjoyable way to promote gut health and improve the product's nutritional value.
MeSH term(s)	Antioxidants ; Setaria Plant ; Lactobacillus ; Lactobacillus acidophilus ; Probiotics
Chemical Substances	Antioxidants
Language	English
Publishing date	2023-11-25
Publishing country	Brazil
Document type	Journal Article
ZDB-ID	2017175-4
ISSN	1678-4405 ; 1517-8382
ISSN (online)	1678-4405
ISSN	1517-8382
DOI	10.1007/s42770-023-01188-8
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Article ; Online: Synthesis, crystal structure, spectroscopic characterization, DFT calculations, Hirshfeld surface analysis, molecular docking, and molecular dynamics simulation investigations of novel pyrazolopyranopyrimidine derivatives.

Ait Elmachkouri, Younesse / Irrou, Ezaddine / Thiruvalluvar, Aravazhi Amalan / Anouar, El Hassane / Varadharajan, Venkatramanan / Ouachtak, Hassan / Mague, Joel T / Sebbar, Nada Kheira / Essassi, El Mokhtar / Labd Taha, Mohamed

Journal of biomolecular structure & dynamics

2023 , Page(s) 1–19

Abstract: A series of new pyrazolopyranopyrimidine derivatives ( ...

Abstract	A series of new pyrazolopyranopyrimidine derivatives (
Language	English
Publishing date	2023-10-10
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2023.2268187
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Article: Model generation and process optimization of microwaveâassisted aqueous extraction of anthocyanins from grape juice waste

Varadharajan, Venkatramanan / Arulvel Ramaswamy / Sethupathi Shanmugam

Journal of food process engineering. 2017 June, v. 40, no. 3

2017

Abstract: The microwaveâassisted extraction of anthocyanins from grape juice waste was investigated in this study. The optimization was implemented using response surface methodology with BoxâBehnken design and genetic algorithm (GA). Anthocyanins from grape ... ...

Abstract	The microwaveâassisted extraction of anthocyanins from grape juice waste was investigated in this study. The optimization was implemented using response surface methodology with BoxâBehnken design and genetic algorithm (GA). Anthocyanins from grape juice waste were extracted under various microwave power (100â600Â W), exposure time (1â5Â min) and solvent/solid ratio (10â50Â ml/g). The total monomeric anthocyanin yield was considered as the response for optimization experiments. The results indicated that the quadratic model was significant for the chosen response at pÂ <Â .0001. The analysis of variance and response surface plots showed a significant interaction of all the selected independent variables over anthocyanin extraction process. The maximum anthocyanin yield of 1.31881Â mg/g of grape juice waste was predicted by response surface methodology, and the prediction was improved to 1.32244Â mg/g of grape juice waste by GA. A confirmatory experiment performed under optimum conditions showed anthocyanin yield of 1.3215Â mg/g of grape juice waste. Hence, this model was successful in predicting anthocyanin extraction from grape juice waste under microwaveâassisted extraction conditions. PRACTICAL APPLICATION: Anthocyanin pigments find a broad range of implementation as food colorants, antioxidants, and anticancerous agents. The waste residue obtained during grape juice production and processing is also rich in anthocyanins and can be used as an alternative source for anthocyanin extraction. This study exploits the use of grape juice waste for anthocyanin extraction, and it can be the best way of waste management and cost reduction in grape juice production units.
Keywords	algorithms ; analysis of variance ; anthocyanins ; antioxidants ; byproduct utilization ; cost effectiveness ; exposure duration ; food coloring ; food processing wastes ; grape juice ; microwave treatment ; models ; prediction ; response surface methodology ; solvents
Language	English
Dates of publication	2017-06
Size	p. .
Publishing place	John Wiley & Sons, Ltd
Document type	Article
Note	JOURNAL ARTICLE
ZDB-ID	752358-0
ISSN	0145-8876
ISSN	0145-8876
DOI	10.1111/jfpe.12486
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Modeling and verification of process parameters for the production of tannase by Aspergillus oryzae under submerged fermentation using agro-wastes.

Varadharajan, Venkatramanan / Vadivel, Sudhan Shanmuga / Ramaswamy, Arulvel / Sundharamurthy, Venkatesaprabhu / Chandrasekar, Priyadharshini

Biotechnology and applied biochemistry

2017 Volume 64, Issue 1, Page(s) 100–109

Abstract: Tannase production by Aspergillus oryzae using various agro-wastes as substrates by submerged fermentation was studied in this research. The microbe was isolated from degrading corn kernel obtained from the corn fields at Tiruchengode, India. The ... ...

Abstract	Tannase production by Aspergillus oryzae using various agro-wastes as substrates by submerged fermentation was studied in this research. The microbe was isolated from degrading corn kernel obtained from the corn fields at Tiruchengode, India. The microbial identification was done using 18S rRNA gene analysis. The agro-wastes chosen for the study were pomegranate rind, Cassia auriculata flower, black gram husk, and tea dust. The process parameters chosen for optimization study were substrate concentration, pH, temperature, and incubation period. During one variable at a time optimization, the pomegranate rind extract produced maximum tannase activity of 138.12 IU/mL and it was chosen as the best substrate for further experiments. The quadratic model was found to be the effective model for prediction of tannase production by A. oryzae. The optimized conditions predicted by response surface methodology (RSM) with genetic algorithm (GA) were 1.996% substrate concentration, pH of 4.89, temperature of 34.91 °C, and an incubation time of 70.65 H with maximum tannase activity of 138.363 IU/mL. The confirmatory experiment under optimized conditions showed tannase activity of 139.22 IU/mL. Hence, RSM-GA pair was successfully used in this study to optimize the process parameters required for the production of tannase using pomegranate rind.
MeSH term(s)	Aspergillus oryzae/enzymology ; Aspergillus oryzae/growth & development ; Carboxylic Ester Hydrolases/biosynthesis ; Crop Production ; Fungal Proteins/biosynthesis ; Industrial Waste ; Zea mays/chemistry
Chemical Substances	Fungal Proteins ; Industrial Waste ; Carboxylic Ester Hydrolases (EC 3.1.1.-) ; tannase (EC 3.1.1.20)
Language	English
Publishing date	2017-01
Publishing country	United States
Document type	Journal Article
ZDB-ID	883433-7
ISSN	1470-8744 ; 0885-4513
ISSN (online)	1470-8744
ISSN	0885-4513
DOI	10.1002/bab.1451
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