Bromo-Noscapine (BrNs) is a tubulin-binding cytotoxic agent with significant activity against breast and lung cancer. The mechanistic interaction insight into the binding of bovine serum albumin (BSA) BrNs can provide critical information about pharmacodynamics pharmacokinetics properties. Here, various spectroscopic techniques computational methods were employed to understand dynamics BSA interaction. intrinsic fluorescence was quenched by through static quenching procedure. stoichiometry...

Coronavirus pandemic has caused a vast number of deaths worldwide. Thus creating an urgent need to develop effective counteragents against novel coronavirus disease (COVID-19). Many antiviral drugs have been repurposed for treatment but implicated minimal recovery, which further advanced the clearer insights and innovation derive therapeutics. Strategically, Noscapine, approved antitussive drug with positive effects on lung linings may show favorable outcomes synergistically in trials....

Even after huge strides in medicine, cancer continues to be a formidable disease, which is slated become the leading cause of death worldwide. The present study investigates 1,3-benzodioxole and its propargyl ether derivatives as novel histone deacetylase enzyme inhibitor order cure cancer, aberrant expression deacetylases (HDACs) associated with carcinogenesis. Bioinformatics approaches were employed carry out preclinical pharmacological evaluations designed benzodioxole derivatives....

Originating in the city of Wuhan China December 2019, COVID-19 has emerged now as a global health emergency with high number deaths worldwide. is caused by novel coronavirus, referred to severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), resulting pandemic conditions around globe. We are battleground fight against virus rapidly developing therapeutic strategies tackling SARS-CoV-2 and saving human lives from COVID-19. Scientists evaluating several known drugs either for pathogen...

The mankind relies on the use of antibiotics for a healthy life. epidemic-like emergence drug-resistant bacterial strains is increasingly becoming one leading causes morbidity and mortality, which gives rise to design potential antimicrobial peptide (AMP). Here, we have designed AMP using extensive dynamics simulation since protein–peptide interactions are linked large conformational changes. Therefore, employed advanced computational avenue CABS molecular docking method that enabled...

Chalcone, a privileged structure, is considered as an effective template in the field of medicinal chemistry for potent drug discovery. In present study, chalcone was designed, synthesized, and characterized by various spectroscopic techniques (NMR, high-resolution mass spectrometry, Fourier transform infrared (FT-IR) spectroscopy, UV single-crystal X-ray diffraction). The mechanism binding with bovine serum albumin (BSA) determined multispectroscopic computational methods. Steady-state...

One of the foremost contributors to mortality worldwide is cancer. Chemotherapy remains principal strategy for cancer treatment. A significant factor leading failure chemotherapy phenomenon multidrug resistance (MDR) in cells. The primary instigator MDR over expression P-glycoprotein (P-gp), a protein that imparts and facilitates ATP-dependent efflux various anticancer agents. Numerous efforts have been made inhibit P-gp function with aim restoring effectiveness due its broad specificity....

Acquired immune deficiency syndrome (AIDS), a widespread pandemic and severe health issue, is triggered by the human immunodeficiency virus (HIV); there no specific vaccine to cure this infection, situation worsening. Therefore, research sought develop with multiple epitopes against infection targeting envelope glycoprotein (vital in host-cell interaction) through immunoinformatics viroinformatics approach. We identified one B-cell, eight MHC-I, four MHC-II on its immunogen-assisted...

Fluoroquinolone (FQ) antibiotics are an important class of synthetic antibacterial agents. These the most extensively used drugs for treating bacterial infections in field both human and veterinary medicine. Herein, pharmacological properties four fluoroquinolones: lomefloxacin, norfloxacin, ciprofloxacin, ofloxacin have been studied. The objective this study was to analyze characteristics different fluoroquinolones. Also, compounds including Lipinski rule five, absorption, distribution,...

With an endeavor to develop novel curcumin analogs as potential anti-cancer agents, we designed and synthesized a series of Knoevenagel condensates by clubbing pyrazole carbaldehydes at the active methylene carbon atom backbone. Molecular docking studies were carried out target proposed derivatives on human kinase β (IKKβ), target. The chloro derivative displayed five hydrogen bond interactions with score −11.874 kcal/mol higher than (docking = −7.434 kcal/mol). This was supported fact that...

Inspired by the synergistic effects of hetero-aromatic scaffolds on curcumin, a novel array pyrazoline substituted curcumin analogs was designed. Multi-scale computational studies were carried out to target proposed human kinase β (IKK-β), potential anti-cancer target. In molecular docking analysis, all eleven molecules observed bind site and 4-bromo-4’-chloro analog displayed three hydrogen bond interactions with score –11.534 kcal/mol higher than parent molecule, (docking = –7.12 kcal/mol)...

Lysozyme is a well-characterized protein in terms of its structure, dynamics, and functions. It has thus emerged as potential target to understand protein-drug interactions. The aim our study gain biophysical outlook on the interaction lysozyme (Lyz), well-known model protein, with Noscapine, potent tubulin-binding anticancer drug. Noscapine (Nos) effective against wide range cancer shows low toxicity few side effects. We report underlying mechanism complex formation between Nos Lyz using...

WHO holding the hands of scientific commune and trying to repurpose drugs against SARS-CoV-2. The robust data has illustrated probable mechanistic path SARS-CoV-2 entry action in damaging cells. Which further demonstrated Hydroxychloroquine (HCQ; antimalarial drug) as promising drug therapeutic; apart from certain setbacks be an excellent agent treating COVID-19. In present study, we have explored derivatives HCQ, conjugated with bioactive agents by virtue sustainably modified clicked...

In present investigation, an attempt was undertaken to modify the C-9 position of noscapine (Nos), opium alkaloid yield 9 -hydroxy methyl and -carbaldehyde oxime analogues for augmenting anticancer potential. The synthesis 9-hydroxy analogue Nos carried out by Blanc reaction 9-carbaldehyde engineered formation method characterized using FT-IR, 1H NMR, 13C mass spectroscopy, so on techniques. silico docking techniques informed that had higher binding energy score as compared Nos. IC50...

COVID-19 has been declared as a global health emergency and exposed the world to deadly virus, which dramatically changed lives of humans for an unknown period time.

Abstract Development of effective counteragents against the novel coronavirus disease (COVID-19) caused by severe acute respiratory syndrome 2 (SARS-CoV-2) strains, requires clear insights and information for understanding immune responses associated with it. This global pandemic has pushed healthcare system restricted movement people succumbing available therapeutics utterly warrants development a potential vaccine to contest deadly situation. In present study, highly efficacious,...