a series of structurally related 2,4-dioxopyrimidine-1-carboxamide derivatives as highly potent inhibitors against acid ceramidase were subjected to hologram quantitative structure-activity relationship (hqsar) analysis. a training set containing 24 compounds served to establish the hqsar model. the best hqsar model was generated using atoms, bond, connectivity, donor and acceptor as fragment d...

background: the rise of opportunistic fungal infections highlights the need for development of new antimicrobial agents. antimicrobial peptides (amps) and antifungal peptides (afps) are among the agents with minimal resistance being developed against them, therefore they can be used as structural templates for design of new antimicrobial agents. methods: in the present study four antifungal pep...

background: antifungal drug resistance and few numbers of available drugs limit therapeutic options against fungal infections. the present study was designed to discover new antifungal drugs.   m aterials and methods: this study was carried out in two separate steps, that is, in silico lead identification and in vitro assaying of antifungal potential. a structural data file of a ternary complex...

one of the most significant issues in pharmaceutical industries, prior to commercializationof a pharmaceutical preparation is the “preformulation” stage. however, far too attention hasbeen paid to verification of the software assisted statistical designs in preformulation studies.the main aim of this study was to report a step by step preformulation approach for a semisolidpreparation based on ...

as recent advancements in biology shows, the molecular machines specially proteins, rna and complex molecules play the main role of the so called cell functionality. it means a very big part of the system biology is concerned with the interactions of such molecular components. drug industries and research institutes are trying hard to better understand the concepts underlying these interactions...

background: gp41 of hiv (human immunodeficiency virus) is a protein that mediates fusion between viral and cellular membranes. the agent, t-20, which has been approved for hiv inhibition, can restrain gp41 function in the fusion process; nevertheless, it has disadvantages like instability, high cost of production and injection form to be delivered twice a day. methods: several molecules like nb...

the goal of this research is preparation, optimization and in-vitro evaluation of rifampin-loaded silica nanaoparticles in order to use in pulmonary drug delivery. nanoparticles are exhaled because of thier small size, preparation of nanoaggregates in micron-sized scale and re-disrpersion of them after the deposition in the lung is one approach in order to overcome this problem, which we used i...

the urgent need of neuraminidase inhibitors (ni) has provided an impetus for understanding the structure requisite at molecular level. our search for selective inhibitors of neuraminidase has led to the identification of pharmacophoric requirements at various positions around acyl thiourea pharmacophore. the main objective of present study is to develop selective ni, with least toxicity and dru...