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Article: Azaphenantherene derivatives as inhibitor of SARS CoV-2 M pro: Synthesis, physicochemical, quantum chemical and molecular docking analysis

Venkateshan, M. / Suresh, J. / Muthu, M. / Ranjith Kumar, R.

Chem. Data Collect.

Abstract: ... The molecular docking analysis against M prowas carried out for the synthesized compounds and some suggested drugs for COVID-19 ...

Abstract	The crystal structure of 2-(1H-indol-3-yl)-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (Ia) and 2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (Ib) were elucidated using single crystal X-ray diffraction. The cyclohexadiene ring adopts screw boat conformation in compound (Ia) and distorted screw boat in compound (Ib). The pyridine ring is effectively planar. The qualitative and quantitative analyses of hydrogen bonding interactions in the compounds were done using Hirshfeld surface analysis, QTAIM and NCI. DFT/B3LYP level of theory was used to optimize both the compounds. These compounds drug-like behaviors were studied using HOMO-LUMO analysis. The molecular docking analysis against M prowas carried out for the synthesized compounds and some suggested drugs for COVID-19. The docking results were then analyzed.
Keywords	covid19
Publisher	WHO
Document type	Article
Note	WHO #Covidence: #614267
Database	COVID19

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Article ; Online: Qualitative analysis of the barriers and facilitators influencing uptake of direct-acting antiviral therapy for hepatitis C in a primary healthcare environment.

Jia, Kevin / Venkateshan, Harsha / Burke, Michael

Australian journal of primary health

2022 Volume 28, Issue 3, Page(s) 247–254

Abstract: Historical interferon and ribavirin therapies for hepatitis C virus have been replaced by modern treatments with improved efficacy and tolerability. Despite the availability of direct-acting antiviral therapy, evidence demonstrates poor uptake in ... ...

Abstract	Historical interferon and ribavirin therapies for hepatitis C virus have been replaced by modern treatments with improved efficacy and tolerability. Despite the availability of direct-acting antiviral therapy, evidence demonstrates poor uptake in Australia. Presently, the barriers and facilitators influencing uptake of direct-acting antiviral therapy are not fully understood, especially in a primary healthcare environment. Our study aimed to discover methods of improving uptake of treatment in the community. We conducted 15 semi-structured, face-to-face interviews in a metropolitan, primary healthcare clinic in Australia. Interviews were recorded, transcribed and subsequently analysed using thematic content analysis. We identified patient-related and healthcare system-related barriers and facilitators to commencing treatment. This included established themes from current literature, and novel themes unique to direct-acting antiviral therapy and primary care. Overall, our study reinforces the importance of public health campaigns to promote community awareness and emphasises the concomitant role of mental health in fostering treatment uptake. Informed by our findings, we suggest further research on an integrated model of care, focused on the domains of disease awareness, patient engagement and treatment adherence. Hence, a community-oriented approach, driven by primary healthcare, ultimately underpins a successful public strategy to improve outcomes for patients affected by hepatitis C.
MeSH term(s)	Antiviral Agents/therapeutic use ; Hepacivirus ; Hepatitis C/drug therapy ; Hepatitis C, Chronic/drug therapy ; Humans ; Primary Health Care/methods ; Qualitative Research
Chemical Substances	Antiviral Agents
Language	English
Publishing date	2022-03-06
Publishing country	Australia
Document type	Journal Article
ZDB-ID	2566332-X
ISSN	1836-7399 ; 1448-7527
ISSN (online)	1836-7399
ISSN	1448-7527
DOI	10.1071/PY21180
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Use of Technology to Improve the Adherence to Surgical Safety Checklists in the Operating Room.

Pati, Akash Bihari / Mishra, Tushar S / Chappity, Preetam / Venkateshan, Mahalingam / Pillai, Jawahar S K

Joint Commission journal on quality and patient safety

2023 Volume 49, Issue 10, Page(s) 572–576

Abstract: Background: Although checklists can improve safety in the operating room (OR), compliance with their use is variable. Use of a forcing function, a principle of human factors engineering, has not been reported earlier as a method of increasing checklist ... ...

Abstract	Background: Although checklists can improve safety in the operating room (OR), compliance with their use is variable. Use of a forcing function, a principle of human factors engineering, has not been reported earlier as a method of increasing checklist use. The authors conducted this study to determine the feasibility and effects of introducing a forcing function on OR surgical safety checklist implementation and adherence. Methods: The authors developed and introduced the use of an electronic version of the surgical safety checklist on an Android application, provided on a personal device available in the OR. This application was linked by Bluetooth to electrocautery equipment, which could not be started before the electronic checklist was completed on the screen of the personal device. In the same OR, retrospective data from use of the traditional (paper-based) checklist were compared with data from the new electronic checklist for frequency of use, and completeness (percentage of all checklist items completed) at three stages of the surgical process-sign-in, time-out, and sign-out. Results: The frequency of use was 100.0% for the electronic checklist, compared with 97.9% for the traditional checklist. The frequency of completeness was 27.1% for the traditional vs. 100.0% for the electronic (p < 0.001).The manual checklist's sign-out component was completed only 37.0% of the time. Conclusion: Although checklist use in some form was already high with the traditional checklist, completion rate was low and significantly increased with the use of the electronic checklist with a forcing function.
MeSH term(s)	Humans ; Operating Rooms ; Checklist/methods ; Retrospective Studies ; Patient Safety ; Technology
Language	English
Publishing date	2023-04-22
Publishing country	Netherlands
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	1189890-2
ISSN	1938-131X ; 1549-425X ; 1553-7250 ; 1070-3241 ; 1549-3741
ISSN (online)	1938-131X ; 1549-425X
ISSN	1553-7250 ; 1070-3241 ; 1549-3741
DOI	10.1016/j.jcjq.2023.04.005
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Socioeconomic Burden of Critically Ill Patients: A Descriptive Study.

Gehlot, Mamta / Mohanty, Satyapriya / Venkateshan, Mahalingam / Gomathi, B / Shetty, Asha / Das, Prasanta K / Mishra, Priyadarshini / Pandey, Arvind / Das, Debasish

Cureus

2023 Volume 15, Issue 2, Page(s) e35598

Abstract: Background The cost of critical illness treatment is generally recognized as expensive and increasing in India. Critical illness of the individual will affect the socioeconomic status of the individual and the family. The direct and indirect costs of ... ...

Abstract	Background The cost of critical illness treatment is generally recognized as expensive and increasing in India. Critical illness of the individual will affect the socioeconomic status of the individual and the family. The direct and indirect costs of intensive care and its impact on the socioeconomic status of critically ill patients and their families need to be estimated. The present study was carried out to evaluate the socioeconomic burden of critically ill patients admitted to ICUs in Eastern India. Methods A descriptive survey was conducted to measure the socioeconomic burden. One hundred fifteen critically ill patients and their family members were conveniently selected for the study. Critically ill patients admitted to ICUs and those who were bedridden for more than seven days along with anyone the family member, i.e., spouse, father, or mother, were included in the study to estimate the impact of long-term illness on the care providers in the family. Socio-demographic and socioeconomic burdens were analyzed through the interview method. Results Half (49.6%) of the critically ill patients were heads of the family, and their employment is the primary source of income for the family members. Most (60.9%) of the patients belonged to lower socioeconomic status. Critically ill patients spend a maximum (38169.6±3996.2) amount for pharmaceutical expenses. Eventually, the family members accompanying patients lost maximum working days because of the long length of hospital stay. Below upper-lower (p=0.046) class socioeconomic family, age less than 40 (p=0.018) years, and those families depending (p=0.003) on patients' income significantly reported higher socioeconomic burden. Conclusions Critical care hospitalization of patients increases the socioeconomic burden on the whole family, especially in lower-middle-income countries like India. It soberly affects younger age group patients with low socioeconomic status and families depending on the patient's income during their man days.
Language	English
Publishing date	2023-02-28
Publishing country	United States
Document type	Journal Article
ZDB-ID	2747273-5
ISSN	2168-8184
ISSN	2168-8184
DOI	10.7759/cureus.35598
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Article: Azafluorene derivatives as inhibitors of SARS CoV-2 RdRp: Synthesis, physicochemical, quantum chemical, modeling and molecular docking analysis.

Venkateshan, M / Muthu, M / Suresh, J / Ranjith Kumar, R

Journal of molecular structure

2020 Volume 1220, Page(s) 128741

Abstract: The crystal structures of 2-(1H-indol-3-yl)-4-phenyl-5H-indeno [( Cheng et al., 2007; Lee et al., 2003) 1,21,2-b]pyridine-3-carbonitrile (Ia) and 2-(1H-indol-3-yl)-4-(4-methoxyphenyl)-5H-indeno [( Cheng et al., 2007; Lee et al., 2003) 1,21,2-b]pyridine-3- ...

Abstract	The crystal structures of 2-(1H-indol-3-yl)-4-phenyl-5H-indeno [( Cheng et al., 2007; Lee et al., 2003) 1,21,2-b]pyridine-3-carbonitrile (Ia) and 2-(1H-indol-3-yl)-4-(4-methoxyphenyl)-5H-indeno [( Cheng et al., 2007; Lee et al., 2003) 1,21,2-b]pyridine-3-carbonitrile (Ib) were determined using single crystal X-ray diffraction. Both the compounds belong to the triclinic system with the P-1 space group. The azafluorene ring system in both the compounds is effectively planar. The intermolecular interactions present in the compounds are discussed using Hirshfeld surface analysis, QTAIM and NCI. Compound Ib formed a strong interaction (-24.174 kJ/mol) with the solvent molecule. Both the compounds were geometry optimized using DFT/B3LYP level of theory. The compound's drug-like behaviors were studied using HOMO-LUMO analysis. The homology modeling of SARS CoV-2 RdRp was done utilizing the PDB 6NUR_A as a template. The model showed above 99% similarity with its preceder SARS CoV. The molecular docking analysis of the synthesized compounds was carried out along with some suggested drugs for COVID-19 and some phytochemicals. The docking results were then analyzed. The binding free energy of the complexes were calculated using MM-PB(GB)SA and ADMET properties of Ia and Ib were also predicted. Some suggestions are given from this analysis.
Keywords	covid19
Language	English
Publishing date	2020-06-23
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	194476-9
ISSN	0022-2860 ; 0377-046X
ISSN	0022-2860 ; 0377-046X
DOI	10.1016/j.molstruc.2020.128741
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Article: Risk Perception and Preventive Practice During the COVID-19 Pandemic in the General Population.

Venkateshan, Mahalingam / Mishra, Priyadarshini / Mohanty, Satyapriya / Shetty, Asha P / B, Gomathi / Das, Prasanta Kumar / Pandey, Arvind / Behera, Anupama / Das, Dr Debasish

Cureus

2023 Volume 15, Issue 3, Page(s) e36095

Abstract: Background People's perceptions of the COVID-19 pandemic and its associated risk are very essential to prevent the spread of the infection. The awareness among individuals may contribute to preventing COVID-19 infections. Coronavirus disease is a serious ...

Abstract	Background People's perceptions of the COVID-19 pandemic and its associated risk are very essential to prevent the spread of the infection. The awareness among individuals may contribute to preventing COVID-19 infections. Coronavirus disease is a serious public health issue. However, preventive practices toward COVID-19 are relatively unknown. The present study aims to survey the risk perception and preventive practice during the COVID-19 pandemic among the general population in Odisha. Method A cross-sectional online survey among 395 participants was conducted by adopting the convenience sampling technique. The tools used for the survey consist of three divisions: collection of sociodemographic data, assessment of risk perception toward COVID-19, and assessment of preventive practices during COVID-19 through an online survey method. Results The majority (83.29%) of the participants strongly agreed that social distancing is necessary to control the transmission of COVID-19, 65.82% strongly agreed that lockdown is relevant to control COVID-19 spread, 49.62% strongly agreed that wearing a mask protects from the infection, and 40.25% strongly agreed that they will be able to connect with healthcare professionals if they are infected with COVID-19 infection. The finding revealed that the highest number of participants are always practicing all the preventive measures such as maintaining hand hygiene (77.21%), wearing a mask (68.10%), avoiding shaking hands (87.59%), willingness to seek medical help (90.37%), avoiding going to the market or meeting friends (80.75%), discussing preventive measures related to COVID-19 with their family members (76.45%), and eating only homemade food (87.34%). Conclusion This study found that an average number of study participants who had the highest level of practice on preventive measures are those who had higher perceived risk among the general population. Expanding the knowledge regarding the infection and its ill effect on health through the proper channel can bring a drastic change in the attitude of the general public. As many people depend on television and social media for acquiring information about COVID-19, any information that reaches the public should be accurate and based on evidence. To avoid miscommunication and the further spread of COVID-19, health education and awareness have to be implemented to increase self-efficacy and risk identification among the general public, which eventually increases the practice of preventive measures.
Language	English
Publishing date	2023-03-13
Publishing country	United States
Document type	Journal Article
ZDB-ID	2747273-5
ISSN	2168-8184
ISSN	2168-8184
DOI	10.7759/cureus.36095
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Effect of Scalp Position on Tensile Properties of Single Hair Fibers.

Kunchi, Chandrakala / Venkateshan, Karthik Chethan / Adusumalli, Ramesh Babu

International journal of trichology

2019 Volume 10, Issue 5, Page(s) 218–228

Abstract: ... MJ/m: Conclusion: From the statistical analysis, it was found that there was no significant ...

Abstract	Background: Hair tensile properties play a crucial role in cosmetology regarding functionality and quality. Commonly, scalp positions are subjected to varying magnitudes of environmental and physical stimuli and correspondingly different hair balding patterns are observed. Aim: This study is aimed at comparing the tensile properties of hair from four different scalp positions and quantifying the differences using statistical methods. Further, the second aim is to investigate the structure-property relationship with respect to the tensile properties obtained from hair in order to obtain a better understanding of the heterogeneous and composite structure of hair. Materials and methods: Hair samples were subjected to tensile testing and position wise data was compared using relative rating and grey relational analysis. Scanning electron microscopy was used to study the fractography of tensile specimens. Results: The modulus, yield stress, maximum stress, and work of elongation were in the range of 2-6 GPa, 60-190 MPa, 130-340 MPa, and 30-100 MJ/m Conclusion: From the statistical analysis, it was found that there was no significant difference in terms of rating of hair samples from different scalp positions. This may be attributed to the presence of microscopic and nanoscopic structural heterogeneities.
Language	English
Publishing date	2019-01-03
Publishing country	India
Document type	Journal Article
ZDB-ID	2570982-3
ISSN	0974-9241 ; 0974-7753
ISSN (online)	0974-9241
ISSN	0974-7753
DOI	10.4103/ijt.ijt_19_18
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Article ; Online: Azaphenantherene derivatives as inhibitor of SARS CoV-2 Mpro

Venkateshan, M. / Suresh, J. / Muthu, M. / Ranjith Kumar, R.

Chemical Data Collections

Synthesis, physicochemical, quantum chemical and molecular docking analysis

2020 Volume 28, Page(s) 100470

Keywords	covid19
Language	English
Publisher	Elsevier BV
Publishing country	us
Document type	Article ; Online
ISSN	2405-8300
DOI	10.1016/j.cdc.2020.100470
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Azafluorene derivatives as inhibitors of SARS CoV-2 RdRp

Venkateshan, M. / Muthu, M. / Suresh, J. / Ranjith Kumar, R.

Journal of Molecular Structure

Synthesis, physicochemical, quantum chemical, modeling and molecular docking analysis

2020 Volume 1220, Page(s) 128741

Keywords	Inorganic Chemistry ; Organic Chemistry ; Analytical Chemistry ; Spectroscopy ; covid19
Language	English
Publisher	Elsevier BV
Publishing country	us
Document type	Article ; Online
ZDB-ID	194476-9
ISSN	0022-2860 ; 0377-046X
ISSN	0022-2860 ; 0377-046X
DOI	10.1016/j.molstruc.2020.128741
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Alleviation of diabetes mellitus through the restoration of β-cell function and lipid metabolism by Aloe vera (L.) Burm. f. extract in obesogenic WNIN/GR-Ob rats.

Deora, Neha / Sunitha, M M / Satyavani, M / Harishankar, N / Vijayalakshmi, Mookambeswaran A / Venkataraman, Krishnan / Venkateshan, Vijayalakshmi

Journal of ethnopharmacology

2021 Volume 272, Page(s) 113921

Abstract: Ethnopharmacological relevance: Aloe vera (L.) Burm. f. extract has been medicinally used for over 5000 years in different cultures for its curative and therapeutic properties ranging from dermatitis to diabetes. It has been demonstrated to alleviate ... ...

Abstract	Ethnopharmacological relevance: Aloe vera (L.) Burm. f. extract has been medicinally used for over 5000 years in different cultures for its curative and therapeutic properties ranging from dermatitis to diabetes. It has been demonstrated to alleviate diabetes through its protective effects on pancreatic islets and by improving insulin secretion. Aim of the study: To investigate the simultaneous effect of ethanolic A. vera gel extract on diabetes and obesogenic milieu in Streptozotocin-induced WNIN/GR-Ob mutant obese rats. Materials and methods: A total of 30 rats were grouped equally into WNIN/GR-Ob control (received water as a vehicle), WNIN/GR-Ob Diabetic rats (Streptozotocin-35 mg/kg bw), WNIN/GR-Ob Diabetic rats + Sitagliptin (10 mg/kg bw), WNIN/GR-Ob Diabetic rats + A. vera (300 mg/kg bw) and GR-Ob control + A. vera (300 mg/kg bw). After 4 weeks of treatment, fasting blood glucose, serum insulin, Homeostatic Model Assessment - Insulin Resistance and β-cell function, glucose-stimulated insulin secretion, Dipeptidyl peptidase-IV activity, and lipid profiles were studied. In addition, ultrastructural analysis of isolated islets and dual-energy X-ray absorptiometry analysis for body composition were also carried out. Results: The A. vera treated group showed a significant reduction (p < 0.05) in triglyceride, Very low-density lipoprotein levels, Triglyceride to High-density lipoprotein ratio as well as fasting blood glucose levels and DPP-IV activity with a concomitant increase in the serum insulin levels. The increase in IR was observed in both WNIN/GR-Ob control and diabetic rats with a significant decrease in β-cell function in the diabetic rats as per Homeostatic Model Assessment values. Oral administration of A. vera was effective in both reducing Homeostatic Model Assessment-Insulin Resistance and increasing Homeostatic Model Assessment-β values. Also, the treated group demonstrated preservation of islets and a significant increase (p < 0.05) in the diameter of β-cell as evident through Scanning electron microscope analysis. The increase in lean body mass was manifested in the treated group with a reduction in Fat percent in comparison with other groups. Conclusion: The beneficial effects of A. vera in WNIN/GR-Ob strain may be attributed to its ability to lower lipid profile thus improve insulin sensitivity and/or modulating β-cell function. Thus, it has great therapeutic potential as an herbal remedy for the treatment of diabetes and associated adverse effects such as obesity. The exact mechanism underlying the observation needs to be investigated further to explore the anti-obesity and anti-diabetic properties of A. vera and advocate its potential application as alternative medicine.
MeSH term(s)	Aloe/chemistry ; Animals ; Anti-Obesity Agents/pharmacology ; Anti-Obesity Agents/therapeutic use ; Blood Glucose/metabolism ; Body Composition/drug effects ; Diabetes Mellitus, Experimental/drug therapy ; Dipeptidyl Peptidase 4/metabolism ; Glucagon-Like Peptide 1/metabolism ; Hypoglycemic Agents/pharmacology ; Hypoglycemic Agents/therapeutic use ; Insulin/blood ; Insulin Resistance ; Insulin-Secreting Cells/drug effects ; Insulin-Secreting Cells/metabolism ; Insulin-Secreting Cells/pathology ; Lipid Metabolism/drug effects ; Obesity/drug therapy ; Plant Extracts/pharmacology ; Plant Extracts/therapeutic use ; Rats, Mutant Strains ; Sitagliptin Phosphate/therapeutic use ; Streptozocin ; Rats
Chemical Substances	Anti-Obesity Agents ; Blood Glucose ; Hypoglycemic Agents ; Insulin ; Plant Extracts ; Streptozocin (5W494URQ81) ; Glucagon-Like Peptide 1 (89750-14-1) ; DPP4 protein, rat (EC 3.4.14.5) ; Dipeptidyl Peptidase 4 (EC 3.4.14.5) ; Sitagliptin Phosphate (TS63EW8X6F)
Language	English
Publishing date	2021-02-12
Publishing country	Ireland
Document type	Journal Article
ZDB-ID	134511-4
ISSN	1872-7573 ; 0378-8741
ISSN (online)	1872-7573
ISSN	0378-8741
DOI	10.1016/j.jep.2021.113921
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