Research Articles
Ashok Yadav, Subhash Chander, Hiren Lathiya, Hardik Sharma, Kriti Goyal, Murugesan Sankaranarayanan
In the present study, we have designed some novel bisarylpiperazine derivatives as Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. Docking studies of the designed analogues were performed by molecular modeling software AutoDock 4.2 using HIV-1 Reverse Transcriptase (PDB ID: 1RT2) as receptor. Lipinskis Rule of Five (Ro5) parameters and toxicity parameters were predicted through online servers like Molinspiration and Osiris property explorer. Docking parameters such as binding free energy and predicted inhibitory constant (K i ) values of the designed analogues were compared with standard drugs Efavirenz and co-crystallized ligand TNK-651. Among the designed analogues, 1 , 4 , 8 , 9 , 12 , 15 , 27 , 30 , 37 , 38 , 39  and 43  showed significant and comparable binding free energy and predicted inhibitory constant values as that of standard drugs. These results indicate that, the designed analogues adopt a similar orientation and share the same binding mode as that of some of the classical Non-Nucleoside Reverse Transcriptase Inhibitors (NNRTIs) within the active site of Non-Nucleoside Inhibitory Binding Pocket (NNIBP) of HIV-1 reverse transcriptase.
22-27
Ajay Kumar Timiri, Subasri S, Vishwanathan Vijayan, Velmurugan Devadasan, Barij Nayan Sinha, Manish Kesherwani, Venkatesan Jayaprakash
N-benzyl-2-(4,6-diaminopyrimidin-2-ylthio)-acetamide, was synthesized by the reaction of 4,6-diamino-pyrimidine-2-thiol with 2-chloro-N-benzyl acetamide in the presence of potassium hydroxide under reflux conditions and crystallized. X-ray diffraction intensity data were collected at room temperature (293k) on a Bruker axs SMART APEXII single crystal X-ray diffractometer equipped with graphite monochromatic Mo K?  (?=0.71073 radiation and CCD detector. The compound crystallizes in the monoclinic P2 1 /n space group with four molecules in the unit cell (a=8.5657(5) b=9.3203(5) c=18.2134(10) ?=90, ?=91.540(4) , ?=90 and Z=4). The three dimensional molecular structure of this compound was determined by X-ray crystallography using SHELXS97 and later refined by SHELXL97 to a final R-value 4.3%. In the crystal, the molecular structure is stabilized by intramolecular NH...S, CH...N and CH...O hydrogen bonds and the packing is stabilized by intermolecular NH...N and NHO hydrogen bonds.
28-32
Anandakumar Karunakaran, Jayamariappan Muthuvijayan, Ramu Chinthala, Subash Vetsa
Two new, simple, accurate, and precise Reverse Phase High Performance Liquid Chromatograhic method and High Performance Thin Layer Chromatographic (HPTLC) method has been established for simultaneous analysis of Losartan Potassium and Metolazone in tablet formulations. The mobile consisting of Acetonitrile: 0.1% Trifluoroacetic acid, (40:60% v/v) at a flow rate of 0.8 mL/ min was used for RP-HPLC with a UV detector at 236 nm. For the HPTLC method, chloroform: Methanol, 10:1% v/v, as mobile phase, UV detection was performed densitometrically at 230 nm. The methods were validated in accordance with the requirements of ICH guidelines and USFDA guidelines. The methods were successfully used for determination of the drugs in tablets. Tablet excipients did not interfere with the chromatography.
33-36
