Mutational analysis of flavonol synthase of towards enhancement of binding affinity: a computational approach.

is an important medicinal plant that has been used as a treatment of various diseases due to presence of wide range of pharmacological properties. The plant contains quercetin, kaempferol, karanjin, pongaglabrone, kanjone, kanugin, gammatin, pongaglabol, and other bioflavonoids. Kaempferol is a natural flavonol that shows many pharmacological properties including anti-inflammatory, antioxidant, anticancer, and antidiabetic activities etc.

Adaptive resilience of roadside trees to vehicular emissions via leaf enzymatic, physiological, and anatomical trait modulations.

Unplanned urbanization and heavy automobile use by the rapidly growing population contribute to a variety of environmental issues. Roadside plants can mitigate air pollution by modifying their enzymatic activity, physiological and anatomical traits. Plant enzymes, physiological and anatomical traits play an important role in adaptation and mitigation mechanisms against vehicular emissions.

Removal of inorganic toxic contaminants from wastewater using sustainable biomass: A review.

Lignocellulosic biomass is most abundant, ecofriendly and sustainable material on this green planet which has received great attention due to exhaustion of petroleum reserves and various environmental complications. Due to its abundance and sustainability, it has been opted in number of advanced applications i.e.

The molecular docking and molecular dynamics study of flavonol synthase and flavonoid 3'-monooxygenase enzymes involved for the enrichment of kaempferol.

Kaempferol is a natural flavonol that shows many pharmacological properties including anti-inflammatory, antioxidant, anticancer, antidiabetic activities etc. It has been reported in many vegetables, fruits, herbs and medicinal plants. The enzyme flavonol synthase (FLS, EC 1.

3-D Cryptand Like Normal and Doubly N-Confused Calixbenzophyrins: Synthesis and Structural Studies.

The three-dimensional (3-D) cryptand-like normal and doubly-N-confused calixbenzophyrins embedded with phenyl rings in the macrocyclic skeleton are successfully synthesized from single starting materials. These structural isomers are characterized by spectral studies and unambiguously confirmed by crystal analyses.

Cellulose-g-poly-(acrylamide-co-acrylic acid) polymeric bioadsorbent for the removal of toxic inorganic pollutants from wastewaters.

Cellulose biopolymer was functionalized by free graft copolymerization and used as a new adsorbent to eliminate toxic inorganic pollutants from wastewater. Functional graft copolymers from cellulose were characterized by FT-IR spectroscopy, XRD, TGA, and SEM-EDX techniques.Cellulose-g-poly-(acrylamide-co-acrylic acid) polymer adsorbent showed high adsorption capacities for the Cd, Cu, Pb and Zn toxic metal ions, which were evidenced by the comparison with unmodified cellulose-richsamples.

Clinical Course of Nonfunctional Pituitary Microadenoma in Children: A Single-Center Experience.

Context: Pituitary lesions consistent with microadenomas are increasingly discovered by MRI. Sparse data are available on the long-term clinical and imaging course of such lesions in children.

Objective: The aim of this study was to define the clinical and imaging course of pituitary lesions representing or possibly representing nonfunctioning microadenomas in children to guide clinical management.

Assessment of the role of early dynamic PET/CT with 18F-fluorocholine in detection of parathyroid lesions in patients with primary hyperparathyroidism.

Objective: The aim of the present study was to assess the utility of early dynamic PET/computed tomography with fluorine-18-fluorocholine (F-FCH) in detecting parathyroid lesions and in differentiating parathyroid lesions from cervical lymph nodes (LNs).

Patients And Methods: A prospective study was conducted on 14 patients with clinical and biochemical evidence of primary hyperparathyroidism by having a positive Tc-sestaMIBI scan. Patients underwent early dynamic F-FCH PET/computed tomography scan, after the administration of 5-8 mCi (185-296 MBq) at 1 min per frame for 15 min.

Comparability of Early Dynamic and Conventional Static Imaging With 18F-Fluorocholine PET/CT in a Patient With Primary Hyperparathyroidism.

Recent studies have established the superiority of FCH PET/CT over MIBI scan in accurate preoperative localization of parathyroid adenomas. In this patient, we compared both early dynamic and conventional static imaging to see if early imaging could suffice. We describe a 15-year-old boy with primary hyperparathyroidism, in whom early dynamic FCH PET/CT was performed for 15 minutes after injection, followed by conventional static image at 60 minutes.

Molecular Modeling, Synthesis, and Anti-HIV Activity of Novel Isoindolinedione Analogues as Potent Non-nucleoside Reverse Transcriptase Inhibitors.

Different isoindolinedione derivatives bearing imine, amide, thioamide, and sulfonamide linkages have been designed in silico using discovery studio software (BIOVIA, San Diego, CA, USA), synthesized, and evaluated for their anti-HIV activity. SAR studies revealed that the linkages in these molecules did affect their anti-HIV activity and the molecules having sulfonamide linkages were the most potent HIV-RT inhibitors as the S=O bonds of the sulfonamide moiety interacted with Lys103 (NH or carbonyl or both) and Pro236; the NH part of the sulfonamide linkage formed bond with carbonyl of Lys101. blood-brain barrier (BBB) plots were also studied, and it was found that all the designed molecules have potential to cross BBB, a very vital criteria for anti-HIV drugs.

Curcumin bioconjugates: studies on structure-activity relationship and antibacterial properties against clinically isolated strains.

Curcumin bioconjugates, with folic acid, fatty acids and dipeptide, have shown much lower MIC than curcumin against clinically isolated Gram-positive, S.viridians, and Gram-negative bacterial strains, E. coli, P.

Anti-HIV drug development: structural features and limitations of present day drugs and future challenges in the successful HIV/AIDS treatment.

Acquired Immune Deficiency Syndrome (AIDS), an immuno-compromized condition, a sequel to untreated human immunodeficiency virus (HIV) infection, inviting several life-threatening diseases, has become one of the most fatal disorders in the recent past because of HIV strain variance due to mutations, passive latency and reservoirs helping in replenishing and reviving the HIV-1 proviral DNA. Scientific efforts have led to the discovery of several effective drugs against HIV and lowered the morbidity and mortality all over the world. However, despite availability of a good number of anti-HIV drugs, the problem, for the foreseeable reasons, stands out as the most chronic disease due to the less tolerability and low accessibility of drugs, life-long expensive treatment, and above all, the emergence of drug resistant viral strains.

Rhodium(II) acetate-catalyzed stereoselective synthesis, SAR and anti-HIV activity of novel oxindoles bearing cyclopropane ring.

Novel oxindole derivatives bearing substituted cyclopropane ring have been designed on the basis of docking studies with HIV-1 RT using the software DS 2.5 and synthesized as probable NNRTIs against HIV-1 using rhodium(II) acetate-catalyzed stereoselective cyclopropanation reaction. The cyclopropane isomer, having trans relationship with respect to carbonyl of lactam moiety and functional group on the cyclopropane ring, was the major product in all cases along with a small amount of cis and methylene products.

Synthesis, structure-activity relationship and antiviral activity of 3'-N,N-dimethylamino-2',3'-dideoxythymidine and its prodrugs.

A probable NRTI molecule, viz. 3'-N,N-dimethylamino-2',3'-dideoxythymidine (4) and its 5'-O-carboxyl ester prodrugs - 5'-(N-alpha-BOC-L-phenylalanyl)-3'-N,N-dimethylamino-2',3'-dideoxythymidine (5), 5'-L-phenylalanyl-3'-N,N-dimethylamino-2',3'-dideoxythymidine (6) and 5'-decanoyl-3'-N,N-dimethylamino-2',3'-dideoxythymidine (7) have been synthesized and screened against HIV, HSV-1 and 2, parainfluenza-3, vesicular stomatitis and several other viruses. The compound 6 showed good antiviral activity with EC(50) value 0.

Design and synthesis of novel oxindoles as potential non-nucleosidic reverse transcriptase inhibitors against HIV.

We describe here the synthesis of novel oxindoles by cycloproponation of its diazo derivatives. The synthesis involves the use of allyl methyl sulfide and allyl alcohol as olefins and rhodium acetate as catalyst. These oxindoles have been designed to act as non-nucleosidic reverse transcriptase inhibitors (NNRTIs) against HIV.