Influence of diene substituent position on the stereochemical outcome in IMDA reaction of decatrienones. An asymmetric synthesis of C10-epi-dihydro-epi-deoxy arteannuin B

An asymmetric synthesis of C(10)-epi-dihydro-epi-deoxy arteannuin B is reported employing an IMDA reaction of sugar embedded decatrienone. During this investigation it has been demonstrated that changing the position of the methyl group on the diene moiety changes the stereochemical outcome leading to access to either cis- or trans-decalin derivatives exclusively.     

Aromatic interaction profile to understand the molecular basis of raltegravir resistance

Integrase (IN) is the enzyme of human immunodeficiency virus (HIV) which inserts the viral DNA (vDNA) into the host genome for successful viral replication leading to the infection. However, the chemical basis of HIV IN catalysis is speculative due to lack of complete co-crystal structure. Using the recently published prototype foamy virus IN crystal structure, we developed a model structure of HIV IN showing interaction of vDNA, the metal (Mg²⁺) cofactor, and raltegravir (RLT) in the active site. Molecular docking and dynamics simulations studies showed that RLT uses it core central ring with diketo motif for Mg²⁺ chelation and bridge interaction with DDE motif. The triple arene interactions mediated by RLT with neighboring molecular motifs (Y143, cytosine, and adenine) is maintained during long simulation in wild type (WT). The fluorobenzyl and oxadiazole moieties of RLT forms aromatic stacking with cytosine base (head stacking) aromatic side chain of Y143 (tail stacking), respectively, while central ring further establishes aromatic stacking with distorted adenine base of vDNA (central stacking). The novel triple stacking systems were further explored to understand the molecular basis of drug resistance by molecular simulation. The in silico mutation (N155H, Q148H, and Q148H + G140S) and simulation studies elucidated the structural mechanism of resistance to RLT. The simulation studies provided the molecular basis for interdependency observed for the primary and secondary (Q148H and G140S) mutations and also explained the mechanism of viral fitness regain. Our study reveals that triple stacking and its consequence in terms of VdW energetic profile acts as a critical point to understand the drug-resistance. Here, we demonstrate that the root mean square deviation of centroid system (aromatic stacking) can be used as a major determinant of RLT binding toward the fold resistance. This is first kind of report, which discloses a strategy to explore the molecular level of drug resistance profile using aromatic interactions.     

An efficient stereoselective route to the construction of tricyclic core structure towards the synthesis of the sesquiterpenes of the seco-prezizaane family

An efficient stereoselective approach to the construction of a hydrindane derivative having a bridged lactone is described toward the synthesis of the sesquiterpenes of the seco-prezizaane family. The key step involves RO-RCM of a norbornene derivative.     

FRET-induced nanomolar detection of Fe based on cinnamaldehyde-rhodamine derivative

A new dimethylaminocinnamaldehyde linked rhodamine based fluorescence receptor 3 is synthesized which shows fluorescence resonance energy transfer in the presence of Fe²⁺ ions, thus enhancing rational partition in between donor and acceptor emissions and permitting separated measurement of emissions of both fluorophores.     

Naphthalimide appended rhodamine derivative: through bond energy transfer for sensing of Hg2+ ions

A naphthalimide appended rhodamine based fluorescent chemosensor '1' is synthesized which undergoes through bond energy transfer in the presence of Hg(2+) ions in mixed aqueous media.     

Oxidative esterification of primary alcohols at room temperature under aqueous medium

Oxidative esterification of aliphatic primary alcohols with bromide and bromate couple in aqueous acidic medium at room temperature is reported with a wide range of substrate scope for both aliphatic and cyclic alcohols and obtained excellent yields of products.     

How artificial rain can be produced? A mathematical model

A non-linear mathematical model for rain making from water vapor in the atmosphere is proposed and analyzed. The model considers the process of artificial rain by introducing two kinds of aerosol particles conducive to nucleation of cloud droplets and formation of rain drops. The model analysis shows that, for uninterrupted rain, the water vapor in the atmosphere must be formed continuously with the required rate of rainfall. It is shown further that the intensity of rainfall increases as the concentrations of externally introduced aerosols, as well as the density of water vapor in the atmosphere, increase. Numerical simulation is also performed to see the effect of various parameters on the process of artificial rain making leading to rainfall.     

The alkaloids of Delphiniumbicolor nutt.

The structures of alkaloid-$\text{A}$ and -$\text{B}$ were established via X-ray crystallography of the former as its HI salt, and its chemical conversion to the latter.