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Background: Entry inhibitors prevent binding of human immunodeficiency virus protein to the chemokine receptor CXCR4 and are used along with conventional anti-HIV therapy. They aid in restoring immunity and can prevent the development of HIV-TB co-infection Aim: In the present study various thiazolidinone-pyrazine derivatives earlier studied for NNRT inhibition activity were gauged for their entry inhibitor potential. Objective: Objective of the study is to perform molecular docking, ADME, toxicity studies of some Thiazolidinone-Pyrazine Derivatives as entry inhibitors targeting CXCR4 co-receptors. Methods: In-silico docking studies were performed using AutoDock Vina software and compounds were further studied for ADME and toxicity using SwissADME and pkCSM software respectively. Results: Taking into consideration the docking results, pharmacokinetic behaviour and toxicity profile four molecules (compound 1, 9, 11 and 16) have shown potential as entry inhibitors. Conclusion: These compounds have shown potential as both NNRTI and entry inhibitors and hence can be used in management of immune compromised diseases like TB-HIV coinfection.

Nanotechnology is a rapidly expanding field, encompassing the development of materials in a size range of 5-200 nanometers (nm). The applications of nanotechnology to drug delivery opened the floodgates to create novel therapeutics and diagnostics which have changed the landscape of pharmaceutical and biotechnological industries. Advances in nanotechnology are being utilized in medicine for therapeutic drug delivery and treatment of various diseases and disorders. The biodegradable nanoparticle/nanocarriers, in which drug is dissolved and entrapped are specially designed to absorb the drug and to protect it against chemical and enzymatic degradation. The important role to design these nanostructures as a delivery system is to release pharmacologically active molecules for site-specific action with an accurate dose. In recent times, several biodegradable polymeric nanostructures have been developed with an innate capacity to target specific organs/tissue to deliver the drug. Nanoparticulate drug delivery systems use polymers or lipids as carriers for drugs. Newer polymers engineered to achieve temporal and spatial drug delivery form the mainstay of these systems. In nanotechnology, being tiny molecules of immunotherapeutic have many advantages over biological drugs regarding complexity, tissue penetration, manufacturing cost, stability and shelf life, which is one of dominating therapy in the current research field. The present review gives details about the recent developments of nanostructure drug delivery systems and their applications.  Keywords: liposomes, polymeric micelles, gold nanoparticles, superparamagnetic nanoparticles, solid lipid nanoparticles, aptamers, quantum dots.

Background: Prostate cancer is one of the leading causes of death. Though many drugs are being used as effective anticancer agents resistance and side effects necessitates development of target selective and safe anticancer agents. Objectives: The objectives of our work were to identify the important pharmacophoric features and correlate structure of Trifluoro substituted pyrimidine and predict their anticancer activity using QSAR, pharmacophore modelling, and docking studies. Materials and Methods: In this research investigation molecular modelling approach was adopted to develop efficacious Trifluoro substituted pyrimidine derivatives as anticancer agents. Results: Statistically significant models were generated using 2D-MLR method (correlation coefficient (r 2 ) of 0.9207 and a significant Leave-one-out cross-validated correlation coefficient (q 2 ) of 0.8187) and 3D QSAR studies by SA-kNN method (q 2 = 0.723). 2D QSAR models indicated the important of SssNHcount and H-bond acceptor groups to augment the activity. Similarly, 3D QSAR results indicated the requirement of less electronegative and less steric substituents. Essential features such as aromatic and hydrogen bond acceptor features of compounds to interact with the target were highlighted using pharmacophore mapping. These studies prompted us to design new molecules using lead grow tool. Designed compounds were screened for their drug likeness, activity and toxicity using SWISS ADME, Osiris and PASS respectively. Finally docking and binding affinities of designed molecules were studied on EGFR 1M17. Conclusion: Thus, these studies collectively have helped to establish relationship between pyrimidine nucleus and anticancer activity.