Suzuki–Miyaura cross-couplings for alkyl boron reagent: recent developments—a review

Abstract In the history of catalysis and organic synthesis, boric chemistry has been developed into one of the most varied and practical disciplines. Several useful Suzuki–Miyaura cross-coupling (SMC) reactions as well as hydroborylation reactions are regarded the essential tools inside the chemical synthesis toolkit accompanied by researchers of the industry or the academia. Novel synthesis of the less electrically and sterically ongoing carbon–boron synthetic reagents is carried out to ensure a unique coupling reaction utilizing metals along with these reagents which draws considerable interest in accelerating the discovery of creative uses for otherwise difficult organic adducts in many disciplines. This article details the noteworthy advancements in the use of traditional metal-catalyzed carbon–carbon coupling processes with cutting-edge coupling partners such as carbon–boron reagents often the beta-alkyl Suzuki–Miyaura coupling since 2001. The current review covers alkylboranes, organotrifluoroborates, 9-BBN, alkylboronic acids and boronic esters as useful reagents in SMCs that will help synthetic chemists in developing new compounds. Graphical Abstrac

Synthesis, Spectroscopic Characterization, Antimicrobial and Antioxidant Activities of Novel Phosphorylated Derivatives of Amlodipine

<div><p></p><p>A series of novel phosphorylated derivatives of Amlodipine were synthesized by the reaction of amlodipine with 2-chlorophenyl phosphorodichloridate in the presence of tetramethylguanidine in dry THF to form an intermediate product. The intermediate on further reaction with various aminoacid esters in the presence of tetramethylguanidine in dry THF afforded the title compounds. Their structures were characterized by IR, ¹H, ¹³C, ³¹P NMR, mass, and elemental analyses. All the title compounds exhibited promising antimicrobial and antioxidant activities. Their bioactivity was greatly influenced by different groups present at the phosphorus.</p></div

Biomedical applications of graphene-based nanomaterials: recent progress, challenges, and prospects in highly sensitive biosensors

Abstract Graphene-based nanomaterials (graphene, graphene oxide, reduced graphene oxide, graphene quantum dots, graphene-based nanocomposites, etc.) are emerging as an extremely important class of nanomaterials primarily because of their unique and advantageous physical, chemical, biological, and optoelectronic aspects. These features have resulted in uses across diverse areas of scientific research. Among all other applications, they are found to be particularly useful in designing highly sensitive biosensors. Numerous studies have established their efficacy in sensing pathogens and other biomolecules allowing for the rapid diagnosis of various diseases. Considering the growing importance and popularity of graphene-based materials for biosensing applications, this review aims to provide the readers with a summary of the recent progress in the concerned domain and highlights the challenges associated with the synthesis and application of these multifunctional materials

Phytocompounds as potential inhibitors of SARS-CoV-2 Mpro and PLpro through computational studies.

The inhibition of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro) and papain-like protease (PLpro) prevents viral multiplications; these viral enzymes have been recognized as one of the most favorable targets for drug discovery against SARS-CoV-2. In the present study, we screened 225 phytocompounds present in 28 different Indian spices to identify compounds as potential inhibitors of SARS-CoV-2 Mpro and PLpro. Molecular docking, molecular dynamics simulation, molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) binding free energy calculations, and absorption, distribution, metabolism, excretion and toxicity (ADMET) studies were done. Based on binding affinity, dynamics behavior, and binding free energies, the present study identifies pentaoxahexacyclo-dotriacontanonaen-trihydroxybenzoate derivative (PDT), rutin, and dihyroxy-oxan-phenyl-chromen-4-one derivative (DOC), luteolin-7-glucoside-4'-neohesperidoside as promising inhibitors of SARS-CoV-2 Mpro and PLpro, respectively.</p

Analgesic and Anti-Inflammatory Potential of Indole Derivatives

Some indole analogues show a good analgesic activity but on the other hand, it has some serious side effects like gastric ulcer. Therefore, there is still a need to develop derivatives of non-steroidal anti-inflammatory drugs (NSAIDs) with fewer side effects. For this purpose, some indole derivatives were prepared with objectives to develop new derivatives with maximum efficacy and minimum side effects. 1-(1H-indol-1-yl)-2-(sübstituephenoxy)-ethan-1-one derivatives (M1–M4) were analyzed further by thin-layer chromatorgarphy (TLC), melting point, IR, and&nbsp;1H-NMR. The synthesized compounds then underwent oral toxicity studies that include hematological, biochemical, and histopathological findings. The compound was then evaluated for&nbsp;in&nbsp;vivo&nbsp;anti-inflammatory and analgesic activities on carrageenan-induced rat paw edema and acetic acid-induced writhing methods. As a result of the biological activities, promising results were obtained in the compound&nbsp;M2&nbsp;(2-(2-aminophenoxy)-1-(1H-indol-1-yl)ethanone) and it was subjected to further studies. It was found that compound&nbsp;M2&nbsp;was practically nontoxic, and no clinical abnormalities were found in hematology and biochemistry, correlated with histopathological observation. It also showed significant anti-inflammatory and analgesic activities at its oral high dose (400 mg/kg). The study suggested that compound&nbsp;M2&nbsp;was found to have significant anti-inflammatory and analgesic activities. The possible mechanism of&nbsp;M2&nbsp;might suggest being act as a central anti-nociceptive agent and peripheral inhibitor of painful inflammation. The possible mechanism of action of the compounds whose biological activity was evaluated was explained by molecular docking study against COX-1 and COX-2, and the most active compound&nbsp;M2&nbsp;formed −9.3 and −8.3 binding energies against COX-1 and COX-2. In addition, molecular dynamics (MD) simulation of both&nbsp;M2’s complexes with COX-1 and COX-2 was performed to examine the stability and behavior of the molecular docking pose, and the MM-PBSA binding free energies were measured as −153.820 ± 11.782 and −172.604 ± 9.591, respectively. Based on computational ADME studies, compounds comply with the limiting guidelines.</p

Resveratrol and Its Natural Analogues Inhibit RNA Dependant RNA Polymerase (RdRp) of Rhizopus oryzae in Mucormycosis through Computational Investigations

Mucormycosis (or black fungus infection) is a life-threatening, but rare fungal infection with predominant occurrence in immunosuppressed patients following the SARS-CoV-2 infection. Rhizopus oryzae (R. O.) causes about 70% of all cases of mucormycosis. RNA dependent RNA polymerase (RdRp) is a key fungal protein implicated in the genome replication and multiplication of R. oryzae. In view of biological significance of resveratrol (RES), rich in grape skin extract, on various microbial infections and inflammatory diseases including gum infections and periodontitis, our present study was aimed at in silico investigation of RES and its two natural analogues, piceatannol (3,5,3',4'-tetrahydroxy-trans-stilbene, PIC), and 3,5,4'-trimethoxy-trans-stilbene (TMS) for their development as successful antifungal agents targeting the R. O. specific RdRp to combat the deadly mucormycosis. Due to the unavailability of the three-dimensional structure of R. O. RdRp in the Protein Database Bank (PDB), the protein structure of RdRp was modeled using the target sequence of RT/Duplex (Set-Met) (PDB ID: 6AR3, 3.41 angstrom) by homology modeling. Using the modeled structure of R. O. RdRp, docking and molecular dynamics (MD) simulation studies were carried out in Schrodinger suite version 2021-2 software. The findings of docking, MD simulations and MM-PBSA binding energies conclude that the RES, PIC and TMS possess predictable and stable binding affinity/interactions to the R. O. RdRp. These bioactive compounds could potentially inhibit the activity of R. O. RdRp. Further, density function theory (DFT) analysis (B3LYP, 6-311 G* basis set) was performed, and results of DFT analysis indicate that the compound PIC could be a more potential inhibitor for R. O. RdRp over RES. In in silico drug-likeness and ADMET prediction studies, all of the compounds exhibited acceptable drug-likeness, the Lipinski's rule of five and pharmacokinetic parameters. Finally, it can be concluded that RES and its two natural analogues, PIC and TMS are the potential inhibitors of R. O. RdRp based on docking, MD and DFT studies

Current trends in bio-waste mediated metal/metal oxide nanoparticles for drug delivery

Funding Information: B.H. Jaswanth Gowda is thankful to Yenepoya (Deemed to be University), Mangalore, India for providing the research fellowship. Dr. Piyush Kumar Gupta is thankful to the Department of Life Sciences, School of Basic Sciences and Research, Sharda University, for providing the infrastructure and research facilities. Kavindra Kumar Kesari is thankful to Aalto University for providing an open access support. Publisher Copyright: © 2022 The AuthorsNanoparticles have received much attention in biomedical applications due to their unique physicochemical properties. The metal/metal oxide nanoparticles are involved in various applications, including drug delivery, therapy, and diagnosis. Subsequently, many hazardous chemicals and organic solvents were utilized to synthesize the metallic nanoparticles. Therefore, the green synthesis came into the limelight to overcome the economic and environmental burden. The green synthesis represents the production of nanoparticles that reduce or terminate the use of hazardous materials and solvents that encourages environmental safety. The frequently utilized green materials in numerous metallic nanoparticle syntheses include microbes, plants, pizza, and other food sources. However, the burden on global food security and limited natural resources creates distress over environmental sustainability. Thus, adopting bio-waste materials to produce highly efficient, biocompatible, economic, and eco-friendly metallic nanoparticles could support waste valorization and lead to environmental sustainability. Therefore, the present review focuses on the various bio-waste materials adopted to synthesize metal/metal oxide nanoparticles. We have thoroughly discussed the potential of chemicals-mediated metal/metal oxide nanoparticles in different drug delivery applications such as tumor targeting, brain targeting, stimuli-responsive drug release followed by large molecules delivery. Consequently, this can open a new road for researchers to explore drug delivery applications using bio-waste mediated green synthesized metallic nanoparticles. Finally, the cytotoxicity aspects of such nanoparticles are meticulously discussed compared to chemically synthesized counterparts.Peer reviewe