Structure based virtual screening of non-steroidal anti-inflammatory drugs (NSAIDs) against RNA-binding motif 6 (RBM6) involved in human lung cancer

Munichandrababu, Tirumalasetty; Bhaskar, Baki Vijaya; Ravi, Sahukari; Bhuvaneswar, Cherukupalle; Rajendra, Wudayagiri

doi:10.1007/s00044-012-0276-7

Cited by 4 publications

(3 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…What was long thought to be two distinct domains -the gut and the heart -is now acknowledged to be a dynamic interplay of signals, chemicals, and influences that can have a considerable impact on our cardiovascular health. In this article we will encompass the various facets such as intricate mechanisms that link gut health to inflammation and blood vessel function, how gut microbes can influence blood pressure regulation and lipid metabolism [20,21]. We'll also explore how the gut microbiota affects metabolic health and how it contributes to the onset of atherosclerosis, the condition that is the root of CVD [22].…”

Section: Introductionmentioning

confidence: 99%

Exploring the Significance of Gut Microbiota in Cardiovascular Health

Akter,

Choubey,

Arbee

et al. 2023

Preprint

View full text Add to dashboard Cite

Cardiovascular disease (CVD), comprising heart and blood vessel disorders, persists as the foremost contributor to global morbidity and mortality. In modern times, the intricate composition of gut microbiota has garnered significant focus, particularly for its varying impact on diverse ailments. Perturbations in gut microbiota and consequent dysbiosis have demonstrated connections with the advancement and origin of CVD, including conditions like atherosclerosis, hypertension, and heart failure. This comprehensive review delves into the pivotal role of gut microbiota in maintaining cardiovascular well-being.

show abstract

Section: Introductionmentioning

confidence: 99%

Exploring the Significance of Gut Microbiota in Cardiovascular Health

Akter,

Choubey,

Arbee

et al. 2023

Preprint

View full text Add to dashboard Cite

show abstract

“…18 The proteins/ enzymes (macro molecules) with co-crystal structures make clear its drug/lead (micro molecules) binding sites; those reflect their functional parts along with key amino acids, which are interacted with micro molecules. In case of uncrystallized macro structures, the micro molecules binding sites needs to be predicted.…”

Section: Ligand Binding Site Predictionmentioning

confidence: 99%

Identification of Anticancer Lead Molecules against PRR11 Protein Target with Combination of Protein Modelling Through Threading Approach, Structure Based Chemical Screening of ZINC Database and Pharmacokinetic Properties

Ravi¹,

Jyothi²,

Lakshmi³

et al. 2018

IJPER

Self Cite

View full text Add to dashboard Cite

PRR11 is a cell cycle regulator involved in pathogenesis of cancer. Therapeutically it has been identified as target to inhibit cancer growth. In this study, we employed in silico strategies for determining 3D structure of PRR11 and identification of lead molecules. Molecular modelling of PRR11 was carried out with the help of @TOME2, modeller 9.10 and ModLoop, further structure refinement conceded with SAVES server. ZINC database was virtually screened against reference marine natural compound and docking simulations were performed in AutoDock Vina. Pharmacokinetic properties of leads have been analysed in DataWarrior. Collectively, the results revealed that the 3D structure of target was successfully build with refinement of 30 loops, the reliable structure showed that 83.87% amino acid residues present in allowed regions of Ramachandran plot, Errat overall quality factor was 83.807, passed in Prove and more than 65% amino acids have scored >=0.2 in the 3D/1D plot of PRR11. Based on small molecule screening of ZINC database against PRR11 with resulted pharmacokinetic descriptors, 5 lead molecules (28863059, 79642438, 27766155, 27855322 and 28365298) have predicted as PRR11 inhibitors, which are very prominent in binding energy values, ADME and adverse effects (MTIR) calculations than reference marine natural compound. ZINC database has been given a choice to purchase lead molecules for further evaluations in in vitro/in vivo studies; it could be an opportunity to further prove of this in silico predictions.

show abstract

“…Over time, several pieces of evidence have been there supporting the notion that habitual drinking of tea -especially green tea can lead to better health outcomes including lower risk factors for diseases like heart attack or stroke [16,17]and some cancers [18,19]. Apart from these benefits it may also help maintain oral hygiene levels [14] regulate body weight levels [20], prevent fibrosis [21,22] increasing bone mineral density [23,24] providing antiviral benefits [21,25,26] and neuroprotection properties [27][28][29][30].…”

mentioning

confidence: 99%

The Potent Potential of Green Tea In against Cardiac Disorders: A Comprehensive Review of Recent Discoveries

Akter,

Choubey,

Arbee

et al. 2023

Preprint

View full text Add to dashboard Cite

A preventive effect for tea and its bio active components in cardiovascular health has been suggested by the results of several epidemiological studies, treatments utilizing randomized controlled trials, and mechanistic investigations. Therefore, scientific interest in green tea's ability to prevent cardiovascular diseases (CVDs) is growing. Green tea benefits for the metabolic syndrome, which includes diabetes and hypertension but may also raise cholesterol levels. Additionally, green tea reduces the mortality from any cause, arrhythmia, stroke, coronary heart disease, heart failure, and other conditions.

show abstract

Structure based virtual screening of non-steroidal anti-inflammatory drugs (NSAIDs) against RNA-binding motif 6 (RBM6) involved in human lung cancer

Cited by 4 publications

References 31 publications

Exploring the Significance of Gut Microbiota in Cardiovascular Health

Exploring the Significance of Gut Microbiota in Cardiovascular Health

Identification of Anticancer Lead Molecules against PRR11 Protein Target with Combination of Protein Modelling Through Threading Approach, Structure Based Chemical Screening of ZINC Database and Pharmacokinetic Properties

The Potent Potential of Green Tea In against Cardiac Disorders: A Comprehensive Review of Recent Discoveries

Contact Info

Product

Resources

About