Does Smartphone Use Really Impact Cervical Rotation and Cervical Proprioception in Asymptomatic Individuals?

Background and objective Smartphone use has increased exponentially over the last two years worldwide. The outbreak of the coronavirus disease 2019 (COVID-19) pandemic led to significantly higher dependence on the smartphone for information exchange and communication among the general public. Currently, India has hundreds of millions of smartphone users, and their numbers are on the rise. This has raised concerns regarding the adverse effects of smartphone use on mental and musculoskeletal health. In light of this, this study aimed to determine and evaluate the musculoskeletal consequences of smartphone use. Method A total of 102 participants (50 adolescents and 52 adults) who were smartphone users and are asymptomatic for cervical spine-related disorders were included based on convenience sampling. The components assessed were cervical rotation using tape measurement and cervical proprioception using the head repositioning accuracy test. Frequency distribution tables and text were used to report the results. Results The results of this research indicated reduced cervical rotation range and cervical proprioception deficits in both adolescent and adult smartphone users. Furthermore, no correlation was found between cervical rotation (right and left) and cervical proprioception (right and left rotation). Conclusion Though the results showed that both the individual components - cervical rotation and cervical proprioception - were significantly affected, there was no correlation between the components, which indicates that these asymptomatic individuals who are marginally excessive smartphone users are at increased risk for reduced cervical mobility and deficits in cervical proprioception.

Molecular docking, Molecular dynamics, and AD-MET investigation of selected phytochemicals as promising inhibitors of SARS-CoV-19 targets

There are a few small organic molecules against SARS-CoV-2 that has been discovered since the epidemic commenced in November 2019. The con-ventional medication discovery approach demands more than a decade of the year of laborious research and development and substantial financial commitment, which is not achievable in the face of the current epidemic. This study aims to discover and recognize the most effective and promising molecules against SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) and spike protein targets through molecular docking screening of 120 phytochemicals from six different Ayurveda medicinal plants. The binding affinities were studied using a structure-based drug design of molecular docking, divulging 10 molecules possessing greater affinity towards the target than the reference drug molnupiravir. Molecular docking analysis identified 10 phytochemicals, castalagin, wedelolactone, arjungenin, bet-ulin, galbacin, shinpterocarpin, liquiritin, cordioside, licopyranocoumarin, and daucosterol from different kinds of ayurvedic medicinal plants phyto-chemicals possessing greater affinity against SARS-CoV-2-RdRp and spike protein targets. Two molecules, namely castalagin and wedelolactone, with low binding energies, were the most promising. Furthermore, we carried out MD simulations for the castalagin-protein complexes based on the docking score. Molecular ADMET profile estimation showed that the docked phytochemicals were safe. The present study suggested that active phytochemicals from medicinal plants could inhibit RdRp and spike the protein of SARS-CoV-2. © 2023, Zita Medical Managent. All rights reserved.

An in silico investigation to identify promising inhibitors for SARS-CoV-2 Mpro target.

BACKGROUND: A limited number of small molecules against SARS-CoV-2 has been discovered since the epidemic commenced in November 2019. The conventional medicinal chemistry approach demands more than a decade of the year of laborious research and development and a substantial financial commitment, which is not achievable in the face of the current epidemic. OBJECTIVE: This study aims to discover and recognize the most effective and promising small molecules by interacting SARS-CoV-2 Mpro target through computational screening of 39 phytochemicals from five different Ayurveda medicinal plants. METHODS: The phytochemicals were downloaded from PubChem, and the SARS-CoV-2 protein (PDB ID: 6LU7; Mpro) was taken from the PDB. The molecular interactions, binding energy, and ADMET properties were analyzed. RESULTS: The binding affinities were studied using a structure-based drug design of molecular docking, divulging 21 molecules possessing greater to equal affinity towards the target than the reference standard. Molecular docking analysis identified 13 phytochemicals, sennoside-B (-9.5 kcal/mol), isotrilobine (-9.4 kcal/mol), trilobine (-9.0 kcal/mol), serratagenic acid (-8.1 kcal/mol), fistulin (-8.0 kcal/mol), friedelin (-7.9 kcal/mol), oleanolic acid (-7.9 kcal/mol), uncinatone (-7.8 kcal/mol), 3,4-di-O-caffeoylquinic acid (-7.4 kcal/mol), clemaphenol A (-7.3 kcal/mol), pectolinarigenin (-7.2 kcal/mol), leucocyanidin (-7.2 kcal/mol), and 28-acetyl botulin (-7.2 kcal/mol) from Ayurvedic medicinal plants phytochemicals possess greater affinity than (-7.0 kcal/mol) against SARS-CoV-2-Mpro. CONCLUSION: Two molecules, namely sennoside-B, and isotrilobine with low binding energies, were the most promising. Furthermore, we carried out molecular dynamics simulations for the sennoside-B protein complexes based on the docking score. ADMET properties prediction confirmed that the selected docked phytochemicals were optimal. These compounds can be investigated further and utilized as a parent core molecule to create novel lead molecules for preventing COVID-19.

Computational search for potential COVID-19 drugs from ayurvedic medicinal plants to identify potential inhibitors against SARS-CoV-2 targets.

BACKGROUND: To date, very few small drug molecules are used for severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) that has been discovered since the epidemic commenced in November 2019. SARS-CoV-2 RdRp and spike protein are essential targets for drug development amidst whole variants of coronaviruses. OBJECTIVE: This study aims to discover and recognize the most effective and promising small molecules against SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) and spike protein targets through molecular docking screening of 39 phytochemicals from five different Ayurveda medicinal plants. METHODS: The phytochemicals were downloaded from PubChem, and SARS-CoV-2 RdRp and spike protein were taken from the protein data bank. The molecular interactions, binding energy, and ADMET properties were analyzed. RESULTS: Molecular docking analysis identified some phytochemicals, oleanolic acid, friedelin, serratagenic acid, uncinatone, clemaphnol A, sennosides B, trilobine and isotrilobine from ayurvedic medicinal plants possessing greater affinity against SARS-CoV-2-RdRp and spike protein targets. Two molecules, namely oleanolic acid and sennosides B, with low binding energies, were the most promising. Furthermore, based on the docking score, we carried out MD simulations for the oleanolic acid and sennosides B-protein complexes. CONCLUSION: Molecular ADMET profile estimation showed that the docked phytochemicals were safe. The present study suggested that active phytochemicals from medicinal plants could inhibit RdRp and spike protein of SARS-CoV-2.

Management of COVID - 19 with Siddha and Western Medicine - An Integrative Case Report.

Renaissance in acceptance of the Siddha system of medicine in all over India happened during the current scenario of coronavirus disease-2019 (COVID-19) pandemic. The classical texts of Siddha medicine contain descriptions of the symptoms of COVID-19 as a syndrome like definition that may be correlated with KabaSuram. A 49-year-old female residing at New Delhi who got COVID-19 positive with comorbidity of hypothyroidism treated successfully using an integrative treatment plan (Siddha and Allopathic) as per Government-mandated COVID-19 treatment guidelines. The patient developed symptoms such as fever, sore throat, cold, cough with expectoration, difficulty in breathing, chest congestion, and body ache. Initially the patient took Western Medicine (WM) for five days but the symptoms did not subside. After five days an integrated treatment including Siddha medicine (Internal and external medicines) initiated at In Patient ward, Safdarjung Hospital. The health of the patient improved within 3 days and all her symptoms got relieved within 10 days. After completion of treatment, she tested reverse transcription - polymerase chain reaction (RT-PCR) and it was negative on 14th day. Another patient who was admitted with her got COVID-19 positive turned negative only after 30 days as she missed the integrative medicine by probability. The reported case had a prospective follow-up for six months and found to be free of post-COVID complications. Since, this case report based on a single case which shows a positive outcome is incapable of generalizing the conclusion. Further suitable clinical trials need to be conducted to assess its efficacy. The status of the summary is reported as per CAse REport (CARE) guidelines.