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The discovery and development of novel antiviral drugs from natural sources is continuously increasing due to limitations of currently available drugs such as toxic side effects, drug residue risk factors, high costs, and poor therapeutic strategies. Also, there are very few known antiviral drugs that are effective against only specific viruses. Hence, the present study is intended to isolate and characterize potent antiviral compounds from the methanolic root extract ofSophora interruptaBedd. against avian paramyxovirus, Newcastle disease virus (NDV) and to distinguish the molecular basis of antiviral compounds. The two isolated flavonoids, maackiain (SR-1) and echinoisoflavanone (SR-2) exhibited the best antiviral activities against NDV infection in chicken embryo fibroblast cell lines compared to the standard antiviral drug, Ribavirin. Further, thein vitrostudies and quantitative PCR analysis suggests that these flavonoids inhibit the viral entry, replication, and transcription, which may be beneficial as a promising strategy for the treatment of viral infections. Besides, the molecular docking studies ofSR-1andSR-2exhibited high binding affinities of −7.6 and −8.0 kcal mol−1, respectively, and marked interactions with the NDV surface glycoprotein, hemagglutinin neuraminidase (HN). Also, thein silicotoxicity properties as well pharmacokinetic studies of isolates revealed them as pharmacologically potent antiviral compounds. © The Royal Society of Chemistry 2020. Council of Scientific and Industrial Research, India, CSIR The author WR thanks the Council of Scientic and Industrial Research (CSIR), New Delhi and the authors CB, AR, and PR are grateful to UGC-BSR, New Delhi for nancial assistance under CSIR-MRP and UGC-RFSMS (BSR) programs. Furthermore, all the authors are thankful to National Institute of Animal Biotechnology (NIAB), Hyderabad for providing laboratory facilities to carry out the viral studies.

Multidrug resistant (MDR) gram negative bacterial infections are most prevalent in the hospitals which are truly untreatable and remedial verdict are very deprived. In the current investigation, two compounds (Quercetin and Pinitol) and fractions have been isolated and characterized from Indigofera barberi using chromatographic and NMR studies. Antimicrobial assays reveal IB-Me, IB-D and IB-E fractions and quercetin have shown eloquent antimicrobial activity on clinically isolated bacteria such as Pseudomonas aeruginosa, E. coli, Klebsiella pneumonia and Citrobacter sp. Molecular docking studies demonstrated quercetin has exhibited highest binding affinity with DNA gyrase B and subsequently eleven pharmacophore features viz . five HBD/HBA, two hydrophobic, one HBA and three aromatic (Pi) rings were identified using MOE. Pharmacophore based virtual screening, docking, binding energies and binding affinity with Born-volume (GB/VI) studies demonstrated thirteen lead molecules which were specifically interacted with Asn46, Asp73, Arg76, Thr163, Lys103, Arg136 residues and conserved water molecules within ATP pocket of DNA gyrase B. These scaffolds comply with Lipinski rule of five, toxicity and drug likeness properties deliberated as drug compounds. Hence, these compounds could be endorsed as persuasive DNA gyrase B inhibitors which can be considered as novel compounds in the clinical management of MDR Gram negative bacterial infections.

A green synthesis of amino acid-substituted methylene bisphosphonates (4a-j) is achieved via a one-pot, three-component reaction of dialkylphosphite, triethyl orthoformate, and various amino acids ...

In order to increase the binding energy with haemaglutinin–neuraminidase (HN) protein of Newcastle disease virus (NDV), to improve the membrane permeability and to increase antiviral activity, modified structures of didanosine (ddI) were designed by phosphorylation and substitution with various bio-active amines. The designed derivatives revealed better binding energy values (in between −7.9 and −10.6 kcal/mol) than ddI (−7.3 kcal/mol) with HN of NDV. The docking simulations were encouraged for synthesis and screening of their antiviral activity against NDV in the chicken embryonated eggs. In vitro antibacterial activity is also evaluated for the title compounds. The title compounds exhibited three times of improved antiviral activity than that of the parent compound (ddI). In addition to this the title compounds were performed as good antibacterial agents.

Ricinus communis (RC) is a traditional medicinal plant which has been used by Chenchu and Yerukula tribes for treating their liver ailments. The present work is aimed to explore the hepatoprotective efficacy of Ricinus communis against d -galactosamine (D-GalN) induced hepatitis rat model and its therapeutic potential compared with standard drug, silymarin (100 mg/kg.bw). In vitro antioxidant activity of Methanolic extract of Ricinus communis leaves (MERCL) was assayed through DPPH and H 2 O 2 free radical scavenging activity. Qualitative and quantitative analysis of MERCL using HPLC, demonstrated that Rutin was found to be predominant bioactive compound in the extract. Hepatitis was induced by treating the rats with D-GalN at a single intraperitoneal dose of 800 mg/kg.bw. Serum markers viz, Alanine aminotransferase (ALT), Aspartate aminotransferase (AST), Alkaline phosphatase (ALP) and Malondialdehyde (MDA) levels were significantly increased and the activity levels of antioxidant enzymes such as Superoxide dismutase (SOD),Catalase (CAT), Glutathione reductase (GR), Glutathione peroxidase (GPx), non-enzymatic antioxidant Glutathione (GSH) levels were decreased in the liver of hepatitis induced rats when compared to controls. Pre and post treatment with MERCL significantly altered the enzyme activities, GSH and MDA to normal levels. Histopathological observations also showed protective and curative effects of MERCL against D-GalN intoxication. These results demonstrated that MERCL significantly protected the liver from d -galactosamine induced hepatitis, improved the curative effect in the liver and hence, MERCL can be used as a potent hepatoprotective drug in future.

RNA-binding motif 6 (RBM6) is one of the most potent Lung cancer target proteins in humans. Variations in the expression of two genes such as G15/LUCA15/RBM5 and G16/RBM6/DEF3/NYLU12 show considerable sequence homology to each other in lung cancer cell lines and normal lung tissue. The present study reports construction of basic 3D model of RBM6 protein computationally using Wurst threading server and Modellar 9v7. Further, the developed initial model of the protein was subjected to molecular dynamics simulations using NAMD2.5 software with CHARMM27 force field, TIP 3p model of water, and the energy of structure was minimized with 10,000 steps with integrative time set of 2 ps. The final resolved model reliability was assessed by PROCHECK through Ramachandran plot calculations, Verify3D, and WHATCHECK programs. The Structure Based Virtual Screening was performed with selective 667 NSAIDs drugs from ZINC database against active site of RBM6 using Autodock vina in PyRx Virtual screening tool. The docking results reveal that the compounds ZINC59462883, ZINC59462879, and ZINC 28100170 have −11.2, −10.9, and −10.6 kcal/mol binding affinity, respectively, with RBM6. Through the interaction analysis, it was found that, the binding site residues viz. Ser75, His164, Arg215, Ser216, Arg217, Arg219, Ser279, Glu282, Thr303, and Arg306 were conserved in the interaction of RBM6 with various NSAIDs.

The present investigation is taken up to evaluate the antiviral efficacy of phenolics isolated from Sophora interrupta Bedd and their antioxidant role in the brain and lungs of chicken during Newcastle disease virus (NDV) induced oxidative stress. The activity levels of selected antioxidant enzymes such as superoxide dismutase (SOD), catalyse (CAT), glutathione peroxidase (GPx), glutathione reductase (GR) and glutathione-S-transferase (GST) levels were significantly decreased in brain and lung tissues of NDV infected animals over controls causing oxidative stress. In addition, histopathological alterations disclosed that lungs of NDV infected chicken were affected severely as evidenced by the alterations in alveolar cell morphology, congestion, necrotic and degenerative changes whereas degeneration of Purkinje cells, neuronal necrosis, degeneration in myelin sheath and compression of cells were observed in the brain of NDV infected chickens. These reduced antioxidant defence mechanisms and histopathological abnormalities were restored to normal when chicken were pre-treated with the phenolics isolated from Sophora interrupta Bedd at the dose of 300 mg/Kg Bw/day for one week. Pre-treatment with the phenolics isolated from the above medicinal plant also caused significant reduction in the titre levels of NDV. These results suggest that pre-treatment with the phenolics isolated from Sophora interrupta Bedd exhibited significant antiviral activity and thus the plant extract may be used as a prophylactic treatment for the prevention of NDV infection in chicken.