Publications by authors named "Dinesh Chaple"
Article Synopsis
- Cardiovascular diseases affect 608 million people globally, causing 32% of deaths, and often require combination therapy targeting the RAAS and Neprilysin systems.
- A new multi-target in-silico modeling technique (mt-QSAR) was developed to assess the inhibitory effects on Neprilysin and Angiotensin-converting enzymes, achieving around 90% accuracy using various machine learning algorithms on 983 chemicals.
- The study’s findings, including virtual screening and molecular dynamics simulations, aim to aid in identifying new multi-targeted treatments for cardiovascular conditions.
Cardiovascular diseases (CVD) such as heart failure, stroke, and hypertension affect 64.3 million people worldwide and are responsible for 30% of all deaths. Primary inhibition of the angiotensin-converting enzyme (ACE) is significant in the management of CVD.
View Article and Find Full Text PDFExploring the active constituents of in intervention of novel coronavirus (COVID-19) based on molecular docking method.
Netw Model Anal Health Inform Bioinform
February 2021
Unlabelled: The severe acute respiratory syndrome COVID-19 declared a global pandemic by WHO has become the present wellbeing worry to the whole world. There is an emergent need to search for possible medications. We report in this study a molecular docking study of eighteen molecules with the main protease (M) responsible for the replication of SARS-CoV-2 virus.
View Article and Find Full Text PDFProspecting for to treat COVID-19 via molecular docking models of the SARS-CoV-2.
J Biomol Struct Dyn
August 2022
Article Synopsis
- COVID-19 has been declared a global pandemic, creating an urgent need for new medications to combat the virus.
- Researchers are investigating the main protease of SARS-CoV-2 and exploring active chemical constituents from a specific plant to understand how they interact with this protein.
- The study reveals that compounds like 3,5-Dicaffeoylquinic acid and Quercetin show strong potential against the virus, with 3,5-Dicaffeoylquinic acid demonstrating the best affinity, indicating its promise as a new treatment option.
Caffeic acid (CA), a hydroxycinnamic acid possessing a variety of pharmacological activities, has caused a growing interest for the treatment of hyperlipidemia and associated conditions. This work endeavored to develop a novel formulation of CA-Phospholipon® 90H complex (CA-PC) using a solvent evaporation method. Scanning electron microscopy (SEM), differential scanning calorimetry (DSC), Fourier transform infrared spectrophotometry (FTIR), and powder X-ray powder diffraction (PXRD) was carried to confirm the formation of CA-PC.
View Article and Find Full Text PDFEarlier, we have reported the synthesis and anti-inflammatory evaluation of different 3-(4H-1,2,4-triazol-3-ylthio)-N-substituted propanamide. In this article, we are reporting the various tautomeric forms of the most active anti-inflammatory compound, 3-(4H-1,2,4-triazol-3-ylthio)-N-phenylpropanamide (6a) and their virtual screening by molecular docking using six principle tautomeric forms. Docking analysis suggested that compound 3-(4H-1,2,4-triazol-3-ylthio)-N-phenylpropanamide (6a) bound with COX-1 selectively and drug receptor complex was stabilized by tautomerism.
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