The synthesized Cu(<sc>ii</sc>) complexes, especially bimetallic exhibited versatile anticancer and enzyme-like activities.

Indole thiosemicarbazones (TSCs) and their complexes are known to possess various biological activities. The variation in anticancer activity with different indole-N substituents of TSCs the RuII-benzene (C1–C7) was studied. were adequately characterized using analytical spectroscopic techniques. single crystal X-ray diffraction (XRD) technique confirmed piano-stool structure (C4 C7). theoretical findings on supported experimental results. exhibited good biomolecular interactions DNA/protein...

The world is facing health and economic havoc due to the Corona Virus Disease-2019 (COVID-19) pandemic. Given number of affected people mortality rate, virus undoubtedly a serious threat humanity. By analogy with earlier reports about Severe Acute Respiratory Syndrome (SARS-CoV) Middle East (MERS-CoV) - viruses, novel Coronavirus' replication mechanism likely well understood. structure an endoribonuclease (NSP15) SARS-CoV-2 was reported recently. This enzyme expected play crucial role in...

The present study involved the synthesis of four beclomethasone dipropionate (BDP) derivatives with structural modifications at C9, C11 and C21 carbon atoms changing substituents halogen (Cl &amp; Br) alkyl moieties. was achieved through a series stepwise reactions were characterized by mass 1H NMR spectral data HPLC analysis. In silico molecular docking studies demonstrated that all synthesized BDP (5, 7, 9 12) exhibited favourable binding interactions glucocorticoid receptor (GR). results...

Favipiravir is found to show excellent in-vitro inhibition activity against Nipah virus. To explore the structure-property relationship of Favipiravir, in silico designing a series piperazine substituted derivatives are attempted and computational screening has been done evaluate its bimolecular interactions with The geometrical features all molecules have addressed from Density Functional Theory calculations. Chemical reactivity descriptor analysis was carried out understand various...

Cognitive functions are lost due to the rapid hydrolysis of acetylcholine including Acetylcholinesterase (AChE) and Butyrylcholinesterase (BChE). Marine algae-derived compounds were reported for their neuroprotective activities hence they can be utilised treating neurodegenerative ailments like Alzheimer's Disease Parkinson's which loss cognitive functions. Major attention is currently paid seaweeds health benefits high nutritional values. Sea weeds a rich sense natural bioactive...

Protein kinases are ubiquitously expressed as Serine/Threonine kinases, and play a crucial role in cellular activities. have evolved through stringent regulation mechanisms. also involved tauopathy, thus important targets for developing Anti-Alzheimer's disease compounds. Structures with an indole scaffold turned out to be potent new leads. With the aim of inhibitors human protein kinase C, here we report generation four point 3D geometric featured pharmacophore model. In order identify...

The global impact of Alzheimer's disease (AD) necessitates intensive research to find appropriate and effective drugs. Many studies in AD suggested beta-amyloid plaques neurofibrillary tangles-associated tau protein as the key targets for drug development. On other hand, it is proved that triggering Glycogen Synthase Kinase-3β (GSK-3β) also cause AD, therefore, GSK-3β a potential target combat AD. We, this study, investigated ability small molecules inhibit through virtual screening,...

Background: Mounting evidence over the past decade suggests that number of phytochemicals were identified and designed on basis computer modeling (In slico method) to understand interactions among anti-cancer targeting proteins. Objectives: The aim present research was find efficiency phloretin by molecular docking. Methods: Based experimental evidence, a phytochemical epidermal growth factor receptor (EGFR), B cell lymphoma 2 (Bcl-2), nuclear factor-κB (NFkB), c-Kit protein-tyrosine kinase,...

Alzheimer's disease (AD) is a progressive neurodegenerative disorder that causes memory and cognitive deficits. The present study was carried out to evaluate the protective effects of fucoidan in monocrotophos induced AD Drosophila melanogaster. In silico studies showed exhibited binding energy -9.3 kcal with proteins. Consistent this, fucoidan, dose time-dependent fashion, had inhibitory activity against cholinergic monoamine-metabolized enzymes vitro. Fucoidan inhibited increase total mRNA...

ABSTRACT Our research aims to design novel pyrimidine derivatives inspired by the common core found in many FDA‐approved drugs. However, extensive prior on scaffold has made discovering new molecules more challenging. To overcome this obstacle, we employed a molecular hybridisation strategy, opting hybridise tetralin and pyrimidine, recognising their potential cancer therapeutics. The fused was synthesised through base‐mediated condensation of chalcone with amidine. reaction conditions were...

Many parts of the plant Nyctanthes arbor-tristis Linn. are widely investigated for their biological properties. Purified Arbortristosides from seeds reported as anticancer, anti-leishmania, anti-inflammatory, anti-allergic, immunomodulatory and antiviral. The present study elaborates on isolation, structural functional characterization Arbortristoside-C its inhibition properties against alpha-glucosidase, an important target diabetes mellitus. is purified N. by extraction using polar...

Parkinson's disease (PD) is the furthermost motor disorder of adult-onset dementia connected to memory and other cognitive abilities. Monoamine oxidases (MAOs) have gained significant attention in recent years owing their possible therapeutic use against PD. Expression MAO-B has been found be elevated PD patients for increased uptake dopamine, producing hydrogen peroxide finally causing neuronal injury. In this work, two new compounds identified as leads MAO-B, one those validated vitro...

c-Yes kinase is considered as one of the attractive targets for anti-cancer drug design. The DFG (Asp-Phe-Gly) motif present in most kinases will adopt active and inactive conformations, known DFG-in DFG-out their inhibitors are classified into type I II, respectively. In study, two screening protocols were followed identification inhibitors. (i) Structure-based virtual (SBVS) (ii) (SB) Pharmacophore-based (PB) tandem screening. SBVS, structure was obtained from homology modeling seven...