Molecular docking studies for the identifications of novel antimicrobial compounds targeting of staphylococcus aureus

This work  include several advanced molecular docking tools to study the interactions of our newly synthesized 1,3,4-thiadiazole  derivatives in the active site of penicillin binding protein and DNA gyrase against Staphylococcus aureus, the enzymes targeted for antimicrobial agents. Results such as MolDock scores, binding energies, residue binding distances, etc. were identified and discussed in this present research. The molecules with best docking results were selected in order to calculate drug likeness and bioavailability using Molinspiration software. All the compounds obey Lipinski’s rule and its extension and showed drug likeness. The pharmacokinetic parameters study was done using the AdmetSAR to display ADME and toxicity properties of these antimicrobial

Rapid-prototyping of Adaptive Component-based Systems using Runtime Aspectual Interactions

Aspect-oriented mechanisms have been widely exploited at the programming-level. Nevertheless, little has been achieved at the architectural level, and this despite the potential benefits to gain. These benefits include the promotion of transparency, rapid-prototyping, correctness and adaptability. This contribution aims at filling this gap. We first put forward an intuitive event-driven architectural conceptualization that promotes behavioral rule-centric transient interactions. Towards non-intrusive and runtime adaptability of such exogenous interactions, we then abstractly endow them with aspect-oriented mechanisms. Finally, a compliant foundation with rapid-prototyping capabilities is proposed. It is based on leveraging the distributed rewriting-logic based Maude language.In particular, capitalizing on Maude reflection, we perform inherent behavioral interactions as suitable advices and dynamically weave them on respective components through interfaces. For further information, please visit this web site

On the Benefits of Rewrite Logic as Semantics for Algebraic Petri Nets in Computing Siphons and Traps

A lot of research is being done to directly apply to high level nets structural techniques similar to those existing for place transition nets. In particular, the question of computing siphons for high level nets is of interest since the well known results about relations between liveness of a net and control of its siphons. In this paper, we show how one can derive an efficient computing of siphons containing a given place from an appropriate interpretation of algebraic Petri nets in rewrite logic as true concurrency semantics. Within this method the verification procedure of symbolic siphons is reduced to two easy understandable inference rewrite rule instead to a completeness problem as in recent approach of K. Schmidt. Moreover the proposed methods can be implemented using rewriting techniques

Towards Maude-Tla based Foundation for Complex Concurrent Systems Specification and Certification

This paper contributes towards a multi-paradigm approach for the specification validation verification and refinement of concurrent agile systems. It brings together two complementary rigorous and largely accepted frameworks: Meseguer’s true-concurrent Rewriting Logic (RL) with its Maude prototype and Lamport’s Temporal Logic of Actions (Tla) with its current prototype Tla+. At the specification / validation phase, we adopt a variant of Maude that we endow with strategy for controlling rules and state splitting / recombining for exhibiting full intra-concurrency. For the verification / refinement phase, we automatically derive Tla’s formulas from validated Maude specification, on which crucial properties are checked using Tla’s deductions and invariants. A production system is considered as proof-of-concept. For further information, please visit this web site

Incremental Specification Validation and Runtime Adaptivity of Distributed Component Information Systems

Despite all colossal efforts and investments by Information Systems (IS) practitioners and researchers,today’s IS still remain far from timely exhibiting the required levels of adaptivity dictated by highlyvolatile, competitive and inter-organizational ("socio-techno-business") distributed environment. Difficultiesin approaching dynamic adaptivity in IS remain essentially on how promoting manageability (e.g. simplicity/understandability/incrementality) without compromising correctness and distribution.Recapitulating from the wide acceptance and understandability of UML diagrammatical artifacts and therigorous and distributed capabilities of component-based formalisms, we propose a stepwise approach for de-veloping evolving distributed IS. Staring from UML-OCL descriptions, we smoothly shift them towards atailored component Petri nets variant we called CO-NETS, where validation is geared by true-concurrent symbolic computations using rewriting logic. Applyingideas from recent AOP techniques, we then incrementally cope with behavioral dynamic changes by conceiving on top of each CO-NETS component and/or coordination a Petri net-based evolutionary aspect-layer and endow it with sound yet simple runtime weaving mechanisms.For further information, please visit this web site

Co-NETS: A formal OO framework for specifying and validating distributed information systems

This paper formally defines a new object oriented (OO) Petri net-based approach for specifying and rapid-prototyping distributed (information) systems - regarded as a community of interacting, through explicit interfaces, and concurrently existing objects. The proposed model, referred to as CO-Nets, is based on a complete integration of OO concepts into an appropriate variant of algebraic Petri nets named ECATNets. The CO-Nets behaviour is interpreted in rewriting logic allowing validation by rapid-prototyping using rewrite techniques. Particular to the CO-Nets approach are mainly: the modeling of a class rather as a module with a hidden part (i.e. structure and behaviour) and an observed imported/exported part; the capability of incrementally constructing complex components, as a hierarchy of modules, through simple and multiple inheritance with possibility of overriding, dynamic binding and associated polymorphism. Each component behaves with respect to an appropriate intra-component evolution pattern that supports intra- as well as inter-object concurrency. For interacting such components, an appropriate inter-component interaction pattern is proposed that enhances concurrency and preserves the encapsulated features of each component. (orig.)SIGLEAvailable from TIB Hannover: RR 4485(2000,2) / FIZ - Fachinformationszzentrum Karlsruhe / TIB - Technische InformationsbibliothekDEGerman