Insights Studies for Certain Natural FDA Approved Polyphenolics and Repurposing for COVID-19

2020 ◽  
Vol 11 (SPL1) ◽  
pp. 1390-1395
Author(s):  
Arafa Musa ◽  
Ehab M. Mostafa ◽  
Mohammad M. Al-Sanea ◽  
Shaimaa R. Ahmed ◽  
Gomaa Mostafa-Hedeab ◽  
...  
Keyword(s):  
Docking Studies ◽  
Human Populations ◽  
Energy Score ◽  
Protease Enzyme ◽  
Human Disorders ◽  
Variable Chemical ◽  
Pancreatic Disorders ◽  
New Treatment ◽  
New Applications ◽  
Death Cases

Natural polyphenolic drugs were approved for treatment of various diseases. Diosmin, rutin, quercetin, aesculin, genistein, hesperidin and silybin are known for their safety and have been applied for several human disorders including cancer, cardiovascular disorders, atherosclerosis, oxidative stress, capillary fragility, liver and pancreatic disorders and others. As the structures of the selected polyphenolic compounds possess variable chemical moieties with diverse chemical and electronic characters, these properties have been employed for further insights studies to predict new applications concerning the newly occurred pandemic. COVID-19 is a terrible disease that attacked millions of human populations at the end of year 2019. As the number of death cases has increased to exceed one million of humans, the early discovery of new treatment from previously approved and safe drugs is the main target of this study. Employing the putative docking studies for the selected polyphenolic drugs were done and the results were promising, all tested drugs exhibited high affinity with the selected five proteins of protease enzyme, the docking score ranged from -8.4461 to -26.1691 kcal/mol with 3-7 variable interaction bonds. Among the tested drugs, diosmin appeared as the most promising drug as it exhibited the highest energy score and interaction bonds with the most of proteins.

scholarly journals New Biology to New Treatment of Helicobacter pylori-Induced Gastric Cancer

2016 ◽  
Vol 34 (5) ◽  
pp. 510-516 ◽  
Author(s):  
Richard M. Peek Jr.
Keyword(s):  
Gastric Cancer ◽  
Salt Intake ◽  
Disease Risk ◽  
Host Cells ◽  
Human Populations ◽  
High Salt Intake ◽  
Increased Risk ◽  
New Biology ◽  
New Treatment ◽  
H Pylori

Background:Helicobacter pylori is a bacterial carcinogen that is supposed to have the highest known level of risk for the development of gastric cancer, a disease that claims hundreds of thousands of lives per year. Approximately 89% of the global gastric cancer burden and 5.5% of malignancies worldwide are attributed to H. pylori-induced inflammation and injury. However, only a fraction of colonized persons ever develop neoplasia, and disease risk involves well-choreographed interactions between pathogen and host, which are dependent upon strain-specific bacterial factors, host genotypic traits, and/or environmental conditions. Key Messages: One H. pylori strain-specific virulence determinant that augments the risk for gastric cancer is the cag pathogenicity island, a secretion system that injects the bacterial oncoprotein CagA into host cells. Host polymorphisms within genes that regulate immunity and oncogenesis also heighten the risk for gastric cancer, in conjunction with H. pylori strain-specific constituents. Further, conditions such as iron deficiency and high salt intake can influence H. pylori phenotypes that lower the threshold for disease. Conclusions: Delineation of bacterial, host, and environmental mediators that augment gastric cancer risk has profound ramifications for both physicians and biomedical researchers as such findings will not only focus prevention approaches that target H. pylori-infected human populations at increased risk for stomach cancer, but will also provide mechanistic insights into inflammatory carcinomas that develop beyond the gastric niche.

Expanding the role of perfusionists in the era of new treatment options for cardiovascular disease

Perfusion ◽  
2003 ◽  
Vol 18 (4) ◽  
pp. 253-256 ◽  
Author(s):  
Joseph J Sistino
Keyword(s):  
Cardiovascular Disease ◽  
Treatment Options ◽  
Mail Survey ◽  
Surgical Patient ◽  
The Past ◽  
The Future ◽  
The Usa ◽  
Changing Patterns ◽  
New Treatment ◽  
New Applications

Treatment for cardiovascular disease has dramatically changed the surgical patient population over the past 10 years. Advances in medical management and interventional cardiovascular procedures have delayed surgery in many adults, and the surgical pool has begun to decrease despite an aging population. This affects perfusionists in terms of new psychological and technical challenges, and has serious consequences and implications for the future of the profession. This study will review the changing patterns of diagnosis and treatment of cardiovascular disease in the USA over the past 10 years by examining the annual surgical procedure rates and correlating them with the number of practicing perfusionists and new student graduates. The purpose of this review is to project the future employment opportunities for perfusionists. The second part of the paper will look at the alternative roles perfusionists have expanded into as a result of changes in the treatment of cardiovascular disease. The results of an e-mail survey of perfusionists will be presented to identify new applications of perfusion technology.

scholarly journals Molecular Docking Studies on the Anti-viral Effects of Compounds From Kabasura Kudineer on SARS-CoV-2 3CLpro

2020 ◽  
Vol 7 ◽  
Author(s):  
Savariar Vincent ◽  
Selvaraj Arokiyaraj ◽  
Muthupandian Saravanan ◽  
Manoj Dhanraj
Keyword(s):  
Molecular Docking ◽  
Critical Role ◽  
Drug Repurposing ◽  
Docking Studies ◽  
World Health ◽  
Synthetic Drugs ◽  
Energy Score ◽  
Main Protease ◽  
Novel Coronavirus ◽  
Health Organization

The COVID-19 has now been declared a global pandemic by the World Health Organization. No approved drug is currently available; therefore, an urgent need has been developed for any antiviral therapy for COVID-19. Main protease 3CLpro of this novel Coronavirus (SARS-CoV-2) play a critical role in the disease propagation, and hence represent a crucial target for the drug discovery. Herein, we have applied a bioinformatics approach for drug repurposing to identify the possible potent inhibitors of SARS-CoV-2 main proteases 3CLpro (6LU7). In search of the anti-COVID-19 compound, we selected 145 phyto-compounds from Kabasura kudineer (KK), a poly-herbal formulation recommended by AYUSH for COVID-19 which are effective against fever, cough, sore throat, shortness of breath (similar to SARS-CoV2-like symptoms). The present study aims to identify molecules from natural products which may inhibit COVID-19 by acting on the main protease (3CLpro). Obtained results by molecular docking showed that Acetoside (−153.06), Luteolin 7 -rutinoside (−134.6) rutin (−133.06), Chebulagic acid (−124.3), Syrigaresinol (−120.03), Acanthoside (−122.21), Violanthin (−114.9), Andrographidine C (−101.8), myricetin (−99.96), Gingerenone -A (−93.9), Tinosporinone (−83.42), Geraniol (−62.87), Nootkatone (−62.4), Asarianin (−79.94), and Gamma sitosterol (−81.94) are main compounds from KK plants which may inhibit COVID-19 giving the better energy score compared to synthetic drugs. Based on the binding energy score, we suggest that these compounds can be tested against Coronavirus and used to develop effective antiviral drugs.

scholarly journals Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies

2021 ◽  
Vol 22 (15) ◽  
pp. 7793
Author(s):  
Luping Pang ◽  
Stephen D. Weeks ◽  
Martin Juhás ◽  
Sergei V. Strelkov ◽  
Jan Zitko ◽  
...  
Keyword(s):  
High Throughput Screening ◽  
Docking Studies ◽  
Enzyme Concentration ◽  
Trna Synthetase ◽  
Atp Binding Site ◽  
Drug Candidates ◽  
Thermal Shift Assay ◽  
Screening Protocol ◽  
New Applications ◽  
Thermal Shift

Human cytosolic prolyl-tRNA synthetase (HcProRS) catalyses the formation of the prolyl-tRNAPro, playing an important role in protein synthesis. Inhibition of HcProRS activity has been shown to have potential benefits in the treatment of fibrosis, autoimmune diseases and cancer. Recently, potent pyrazinamide-based inhibitors were identified by a high-throughput screening (HTS) method, but no further elaboration was reported. The pyrazinamide core is a bioactive fragment found in numerous clinically validated drugs and has been subjected to various modifications. Therefore, we applied a virtual screening protocol to our in-house library of pyrazinamide-containing small molecules, searching for potential novel HcProRS inhibitors. We identified a series of 3-benzylaminopyrazine-2-carboxamide derivatives as positive hits. Five of them were confirmed by a thermal shift assay (TSA) with the best compounds 3b and 3c showing EC50 values of 3.77 and 7.34 µM, respectively, in the presence of 1 mM of proline (Pro) and 3.45 µM enzyme concentration. Co-crystal structures of HcProRS in complex with these compounds and Pro confirmed the initial docking studies and show how the Pro facilitates binding of the ligands that compete with ATP substrate. Modelling 3b into other human class II aminoacyl-tRNA synthetases (aaRSs) indicated that the subtle differences in the ATP binding site of these enzymes likely contribute to its potential selective binding of HcProRS. Taken together, this study successfully identified novel HcProRS binders from our anti-tuberculosis in-house compound library, displaying opportunities for repurposing old drug candidates for new applications such as therapeutics in HcProRS-related diseases.

scholarly journals Treatment of Sialolithiasis: What Has Changed? An Update of the Treatment Algorithms and a Review of the Literature

2021 ◽  
Vol 11 (1) ◽  
pp. 231
Author(s):  
Michael Koch ◽  
Konstantinos Mantsopoulos ◽  
Sarina Müller ◽  
Matti Sievert ◽  
Heinrich Iro
Keyword(s):  
Shock Wave ◽  
Shock Wave Lithotripsy ◽  
Treatment Algorithm ◽  
Treatment Modalities ◽  
Strong Impact ◽  
Extracorporeal Shock Wave ◽  
Recent Trends ◽  
New Treatment ◽  
Therapeutic Tools ◽  
New Applications

Treatment for sialolithiasis has undergone significant changes since the 1990s. Following the development of new minimally invasive and gland-preserving treatment modalities, a 40–50% rate of gland resection was reduced to less than 5%. Extracorporeal shock-wave lithotripsy (ESWL), refinement and extension of methods of transoral duct surgery (TDS), and in particular diagnostic and interventional sialendoscopy (intSE) are substantial parts of the new treatment regimen. It has also become evident that combining the different treatment modalities further increases the effectiveness of therapy, as has been especially evident with the combined endoscopic–transcutaneous approach. In the wake of these remarkable developments, a treatment algorithm was published in 2009 including all the known relevant therapeutic tools. However, new developments have also taken place during the last 10 years. Intraductal shock-wave lithotripsy (ISWL) has led to remarkable improvements thanks to the introduction of new devices, instruments, materials, and techniques, after earlier applications had not been sufficiently effective. Techniques involving combined approaches have been refined and modified. TDS methods have been modified through the introduction of sialendoscopy-assisted TDS in submandibular stones and a retropapillary approach for distal parotid sialolithiasis. Recent trends have revealed a potential for significant changes in therapeutic strategies for both major salivary glands. For the submandibular gland, ISWL has replaced ESWL and TDS to some extent. For parotid stones, ISWL and modifications of TDS have led to reduced use of ESWL and the combined transcutaneous–sialendoscopic approach. To illustrate these changes, we are here providing an updated treatment algorithm, including tried and tested techniques as well as promising new treatment modalities. Prognostic factors (e.g., the size or location of the stones), which are well recognized as having a strong impact on the prognosis, are taken into account and supplemented by additional factors associated with the new applications (e.g., the visibility or accessibility of the stones relative to the anatomy of the duct system).

scholarly journals Synthesis, Characterization and Docking Studies of Anti-HCV Molecules

2020 ◽  
Vol 32 (5) ◽  
pp. 1221-1229
Author(s):  
Satish Kumar ◽  
P.K. Santra ◽  
J. Dwivedi ◽  
R.C. Aryan
Keyword(s):  
Hepatitis C ◽  
Docking Studies ◽  
Spectral Studies ◽  
Synthesis And Characterization ◽  
Hcv Rna ◽  
Protease Enzyme ◽  
Physico Chemical ◽  
Chemical Techniques

The present study reports the synthesis and characterization of novel molecules inhibiting the spread of hepatitis C. The molecules were designed as to block the NS3/4A protease enzyme on HCV RNA. The molecules were synthesized using usual peptide synthesis techniques. Compounds with purity more than 95% were characterized and docking studies were also performed. All the compounds were characterized using physico-chemical techniques such as determination of melting point by DSC and NMR, mass, IR spectral studies. The docking studies were also conducted to assess the activity of molecules for inhibition of hepatitis C virus.

Variation in the BRCA2 gene in a child with medulloblastoma and a family history of breast cancer

2011 ◽  
Vol 8 (5) ◽  
pp. 476-478 ◽  
Author(s):  
Fatih Bayrakli ◽  
Bekir Akgun ◽  
Burcak Soylemez ◽  
Metin Kaplan ◽  
Mustafa Gurelik
Keyword(s):  
Breast Cancer ◽  
Venous Blood ◽  
Family Members ◽  
Brca2 Gene ◽  
Human Populations ◽  
Therapeutic Implications ◽  
The Family ◽  
Human Disorders ◽  
History Of ◽  
Inherited Mutations

The fact that BRCA genes operate as tumor suppressors is evident from the genetics of the different human disorders caused by inherited mutations. Germline mutations affecting 1 allele of either BRCA1 or BRCA2 confer susceptibility to different types of cancers such as breast cancer and medulloblastoma. A family with a history of cancer was identified in Eastern Turkey in which one of the family members (a 13-year-old boy) had medulloblastoma. Venous blood was collected from available family members. The BRCA1 and BRCA2 genes were sequenced in the patient with medulloblastoma and the healthy father. An Asn372His homozygous variation was noted in the BRCA2 gene in the patient with medulloblastoma whereas the variation was heterozygous in the healthy father. A biallelic homozygous variation was demonstrated in the BRCA2 gene, which is important in medulloblastoma suppression, and may have caused medulloblastoma formation in the 13-year-old boy. Further investigations in large human populations with medulloblastoma are necessary for further delineation of BRCA gene malfunctions and their relationship to medulloblastoma formation, and to clarify the therapeutic implications of these malfunctions.

scholarly journals Bis-indolylation of aldehydes and ketones using silica-supported FeCl3: molecular docking studies of bisindoles by targeting SARS-CoV-2 main protease binding sites

RSC Advances ◽  
2021 ◽  
Vol 11 (49) ◽  
pp. 30827-30839
Author(s):  
Barnali Deb ◽  
Sudhan Debnath ◽  
Ankita Chakraborty ◽  
Swapan Majumdar
Keyword(s):  
Molecular Docking ◽  
Binding Site ◽  
Binding Sites ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Protease Enzyme ◽  
Main Protease ◽  
Simple Protocol ◽  
Aldehydes And Ketones

Silica supported FeCl3 catalyzed simple protocol for the synthesis of bis-indolylmethanes was explored via grindstone chemistry. Synthesized compounds were screened virtually as inhibitor by targeting the binding site of SARS-CoV-2 main protease enzyme.

scholarly journals Platelet-Rich Plasma in Cosmetic Surgery

2013 ◽  
Vol 5 (1) ◽  
pp. 1-6
Author(s):  
Rahul Seth ◽  
Robert S Kang ◽  
Matthew K Lee ◽  
Gregory S Keller
Keyword(s):  
Cosmetic Surgery ◽  
Baseline Level ◽  
Platelet Rich Plasma ◽  
Soft Tissue Augmentation ◽  
Therapeutic Modality ◽  
Clinical Use ◽  
Real World Applications ◽  
New Treatment ◽  
New Applications ◽  
Enhance Wound Healing

ABSTRACT Platelet-rich plasma (PRP) is blood plasma containing an above baseline level of platelets and growth factors. PRP is an emerging new treatment utilized to enhance wound healing and has been in clinical use over the last several decades within many disciplines, such as orthopedic, oral-maxillofacial and cardiac surgery. Recently, PRP has come to the attention of esthetic surgeons, with burgeoning new applications ranging from hair restoration to soft tissue augmentation. The goal of this review is to describe the current body of literature on PRP as it pertains to the field of esthetics, and to review its current real-world applications. PRP's utility in cosmetic surgery is rapidly growing and offers a promising and exciting new therapeutic modality.

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