3-(6-Benz­yloxy-2,2-dimethyl­perhydro­furo[2,3-d][1,3]dioxol-5-yl)-5-(4-bromo­phen­yl)-2-phenyl­perhydro­pyrrolo[3,4-d]isoxazole-4,6-dione

In the title compound, C31H29BrN2O7, the isoxazolidine ring adopts a twist conformation, while the tetrahydrofuran, dioxolone and pyrrole rings adopt envelope conformations. The structure is stabilized by inter­molecular C—H⋯O hydrogen bonds and C—H⋯π inter­actions

3-(6-Benz­yloxy-2,2-dimethyl­perhydro­furo[2,3-d][1,3]dioxolan-5-yl)-5-(4-chloro­phen­yl)-4-nitro-2-phenyl-2,3,4,5-tetra­hydro­isoxazole

In the title compound, C29H29ClN2O7, the isoxazole and dioxolane rings adopt envelope conformations, and the furan ring adopts a twisted conformation. The crystal structure is stabilized by inter­molecular C—H⋯π inter­actions between a benz­yloxy methyl­ene H atom and the 4-chloro­phenyl ring of an adjacent mol­ecule, and by weak non-classical inter­molecular C—H⋯O hydrogen bonds. In addition, the crystal structure exhibits a Cl⋯O halogen bond of 3.111 (3) Å, with a nearly linear C—Cl⋯O angle of 160.7 (1)°

N-[(2-Hydr­oxy-1-naphthyl)(3-nitro­phenyl)meth­yl]acetamide

The title compound, C19H16N2O4, is of inter­est as a precursor to biologically active substituted quinolines and related compounds. The dihedral angle between the naphthalene ring system and the benzene ring is 81.9 (1)°. The crystal structure is stabilized by N—H⋯O inter­molecular hydrogen bonds, linking the mol­ecules into pairs around a center of symmetry. The crystal structure is further stabilized by inter­molecular O—H⋯O hydrogen bonds, which link the mol­ecules into chains running along a axis. An intra­molecular C—H⋯O short contact is also present

3-(1,2-Diphenyl­ethen­yl)-2-phenyl-1H-indole

In the title compound, C28H21N, the planar pyrrole ring makes dihedral angles of 1.5 (2), 42.4 (2), 65.4 (2) and 79.7 (1)°, with the least squares planes of the four phenyl rings. The mol­ecular structure and crystal packing are stabilized by weak inter- and intra­molecular C—H⋯π inter­actions

1-Benzyl-3-(1,2-diphenyl­ethen­yl)-1H-indole

In the title compound, C29H23N, the planar [maximum deviation from the least squares plane = 0.056 (1) Å] indole ring makes dihedral angles of 83.4 (4), 69.9 (1) and 59.9 (1)°, with the least-squares planes of three benzene rings. The mol­ecular packing is stabilized by weak inter­molecular C—H⋯π inter­actions

SERS multiplexing of methylxanthine drug isomers via host-guest size matching and machine learning

Multiplexed detection and quantification of structurally similar drug molecules, methylxanthine MeX, incl. theobromine TBR, theophylline TPH and caffeine CAF, have been demonstrated via solution-based surface-enhanced Raman spectroscopy (SERS), achieving highly reproducible SERS signals with detection limits down to ∼50 nM for TBR and TPH, and ∼1 μM for CAF. Our SERS substrates are formed by aqueous self-assembly of gold nanoparticles (Au NPs) and supramolecular host molecules, cucurbit[n]urils (CBn, n = 7, 8). We demonstrate that the binding constants can be significantly increased using a host–guest size matching approach, which enables effective enrichment of analyte molecules in close proximity to the plasmonic hotspots. The dynamic range and the robustness of the sensing scheme can be extended using machine learning algorithms, which shows promise for potential applications in therapeutic drug monitoring, food processing, forensics and veterinary science

1-Chloro­acetyl-3,3-dimethyl-2,6-di­phenyl­piperidin-4-one

In the mol­ecule of the title compound, C21H22ClNO2, the piperidine ring adopts a distorted boat conformation. The two phenyl rings are nearly orthogonal to each other with a dihedral angle of 87.1 (1)°. In the crystal structure, the mol­ecules are linked into a three-dimensional network by C—H⋯O and C—H⋯π inter­actions

[1-(3-Nitro­phen­yl)-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazin-3-ylidine]malonaldehyde

The oxazine ring in the title compound, C21H14N2O5, adopts a flattened boat conformation. The nitro­phenyl ring and the naphthalene ring system enclose a dihedral angle of 89.2 (1)°. An intra­molecular hydrogen bond is formed between the NH group and one of the adjacent carbonyl O atoms. In addition, the NH group forms an inter­molecular hydrogen bond to a symmetry equivalent of this carbonyl O atom, connecting the mol­ecules into centrosymmetric dimers. The structure also contains C—H⋯O inter­molecular inter­actions

A prospective, open label, randomized-controlled study to evaluate the efficacy and safety of MyVir tablets in mildly symptomatic COVID-19 patients

Background: Coronavirus can cause pneumonia, respiratory failure and death. The emergence of novel coronavirus has posed a challenging situation that warrants urgent global attention. Currently there was no effective therapy available for COVID-19 and hence antiviral and immune modulators are most sought after medicines to manage complications of COVID-19.Methods: In this study involving mild COVID-19 we randomized 42 patients to receive a MyVir tablets twice daily along with standard of care (SOC) or SOC alone in 1:1 ratio for 14 days. We evaluated the benefits of MyVir tablets by assessing clinical outcomes and improvement in immune markers (LDH, CRP, D-dimer, TLC).Results: At the end of the study the immune markers in MyVir group improved significantly compared to control group. In patients who received MyVir, CRP decreased from 3.3 mg/l to 1.7 mg/l (p=0.0171). D-dimer decreased from 0.589 on day 0 to 0.368 on day 14 (p=0.03) and LDH decreased from 224 U/l on day 0 to 158 U/l on day 14 in test group (p=0.05). TLC showed favorable improvement in study group compared to control group. Early recovery from COVID-19 symptoms was observed in patients on MyVir treated group. Patients treated with MyVir tablets reduced the duration of hospitalization when given along with standard of care.Conclusions: MyVir accelerated recovery of COVID-19 patients by early improvement in clinical symptoms and immune markers in this study and results clearly indicates that MyVir tablets has antiviral, immune booster activity. Hence this study provides evidence that MyVir has definitive role in the management of mild COVID-19 patients along with standard of care (funded by Mi Lab Life Sciences(P) Ltd. CTRI no. CTRI/2020/05/024967)