Antibiotic Molecular Design Using Artificial Bee Colony Algorithm

Research is acutely needed to develop novel therapies to treat resistant infections. This project aims to design a drug molecule via a computer aided molecular design approach to provide lead candidates for the treatment of bacterial infections caused by Staphylococcus aureus. In a recently published WHO report, a list of bacteria which pose the greatest threat to human health was given. The purpose of this report was to identify the most important resistant bacteria at global level for which immediate treatment is required. Staphylococcus aureus, which is on this list, is a pathogen causing infections such as pneumonia and bone disorders. A methodology which determines the structures of candidate antibiotic molecules is described. The Artificial Bee Colony algorithm has been used for the first time for molecular design in this work. It is necessary to predict physical and/or biological properties of compounds in order to design them. The prediction of properties is performed using Quantitative Structure Property Relationships (QSPRs). QSPRs are equations, which are developed using reported data for properties of interest by the method of regression analysis. This work applies connectivity indices and 3D MoRSE descriptors to develop QSPRs. The properties used in this work are minimum inhibitory concentration and Log P values. 3D MoRSE descriptors have been used for the first time for molecular design in this work. The QSPRs are combined with structural feasibility and connectivity constraints to formulate an optimization problem, which is a mixed integer nonlinear program (MINLP). Because of the large number of potential chemical structures and the uncertainty in the structure-property correlations, stochastic algorithms are preferred to solve the resulting MINLP. One stochastic algorithm which has shown promise to solve these problems is the Artificial Bee Colony algorithm, which relies on principles of swarm intelligence to find near-optimal solutions efficiently. The Artificial Bee Colony algorithm described in this work is used to derive solutions which serve as lead compounds for a narrowed search for novel antibiotics. Results show that the ABC algorithm is very effective in finding near optimal solutions to the MINLP, which is a combinatorial optimization problem. Molecular structures were obtained by optimizing objective function for individual property values and simultaneously for both the properties

Stroke in Pakistan

Stroke is the most common cause of disability and a leading cause of mortality world wide. Though the incidence is falling in West but probably is rising in Asia. The burden of stroke risk factors in Pakistan is enormous e.g. by 2020 Pakistan will be 4th most populous country in terms of diabetic patients. Similarly every 3rd person above age of 45 years has hypertension. Ironically a great majority of these patients are unaware of their diagnosis. This is further complicated by the fact that most of diagnosed patients have uncontrolled hypertension, as a result of poor compliance on patients part and poor updated knowledge on physicians part. Data on stroke incidence and prevalence from Pakistan is scarce, however, there are several reported case series in literature highlighting significant differences in terms of stroke epidemiology, risk factors and stroke subtypes/patterns. Considering a high population, absolute number of stroke in our country would be in millions. Its consequences are myriad ranging form physical disability to death, to psychologic, social and economic consequences. These consequences do not only affect the individual or his/her family but also society as a whole. We reviewed available literature on stroke and its risk factors from Pakistan

Obstetric cerebral venous thrombosis

Pregnancy and puerperium are most prevalent prothrombotic states leading to cerebral venous thrombosis. Likelihood of stroke to be of venous origin is greater in stroke associated with pregnancy compared to stroke unrelated to pregnancy. Pregnancy induces several changes in coagulation system, which persists at least during early puerperium, rendering it a prothrombotic state. Hypercoaguability worsens further after delivery as a result of volume depletion and trauma. During puerperium additional risk factors include infection and instrumental delivery or Caesarean section. The management follows general rules as for the venous thrombosis unrelated to pregnancy, however the prognosis is different

Holographic inflation in non-static plane symmetric space-time

The current analysis uses the non-static plane symmetric space-time to dynamically examine the holographic dark energy model as a candidates of IR cut-offs (specifically Hubble's and Granda-Oliveros cut-off). Using the Markov Chain Monte Carlo (MCMC) method, we estimate the best fit values for the model parameters imposed from the combined datasets of $CC+SC+BAO$. Now, it has been found that the characteristics of space-time that have been addressed and formulated using both models are flat universe and observed that the model appears to be in good agreement with the observations. In addition, we investigate the behavior of equation of state parameters along with the energy conditions. Finally, we found that in both the cut-offs the models predict that the present and late universe are accelerating and the equation of state parameter behaves like the quintessence model.Comment: 15-pages; 13-figure

EFFECT OF JALAUKAVACHARANA (LEECH THERAPY) IN THE MANAGEMENT OF MUKHADUSHIKA (ACNE): A CASE STUDY

Jaloukauvacharana is the method of removing impure blood from the body. It is considered as the most easy and convenient method of bloodletting therapy which is one among the Panchakarma (fivepurificatory) Procedure. Mukhadushika (Acne) is a most common skin disease in adolescent. Current varies treatment procedures which include oral antibiotic, Topical applications; Surgery, Laser therapy etc. are associated with many side effect, scar & irritation of the skin & recurrence. But Raktamokshana is the most important treatment of the Pitta Dosha. Raktamokshana by Jalouka can provide a simple, painless, OPD basis & economic treatment. A 20 yrs old female patient came in our OPD with complaints of pimple on both cheeks with itching withSrava since 3 yrs. For that jaloukavacharana was planned and result was significant, assessments were observed clinically & recorded

Water‐soluble red pigments from Isaria farinosa and structural characterization of the main colored component

International audienceThe present study describes the red pigment synthesized by the filamentous fungi Isaria farinosa under submerged culture conditions. The pigment production was optimal under the following conditions: pH 5, agitation speed 150 rpm, temperature 27 °C, incubation time 192 h, light source total darkness, sucrose and glucose as carbon source, yeast extract, meat peptone and monosodium glutamate at a fixed concentration of 3% as nitrogen source. The addition of 10 mM CaCl2 to the culture medium increased the biomass and pigment production. Structural elucidation of the pigment using gas chromatography-mass spectrometry, Fourier transform infrared spectroscopy and 1H nuclear magnetic resonance spectroscopy revealed that the red pigment contains an anthraquinone-related compound. In addition, the isolated pigment was water soluble, and was stable when exposed to salt solution (96.1% of stability after treatment with sodium chloride), acid (72.1% with citric acid), heat (86.2% at 60 °C), and sunlight (99.4%). These results are promising to further exploit the fungal culture of Isaria farinosa for producing the red pigment and, subsequently, to considerably increase its yield. The study has commercial importance in the production of Isaria farinosa pigment for industrial application after considerable toxicological examination. (© 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Role of Reporting in Compliance Monitoring and Enforcement of Ballast Water Management

The Decision Support System (DSS) for ballast water management in any given port is dependent on the availability of information on ballast water carried by a ship in advance. Collation of information through Ballast Water Reporting Forms (BWRF) has been adopted by several countries. This paper provides a comparison of the reporting forms adopted by some of the countries and the International Maritime Organization (IMO) recommended BWRF. The manually submitted reporting forms have several limitations and India has developed a self-validating Electronic Ballast Water Reporting Form (e-BWRF) to overcome such issues. In addition, the possible direction for reporting in the future is also presented

Andro-Shield

Today Android has the biggest market share as compared to other operating system for smart phone. As users are continuously increasing day by day the Security is one of the main concerns for Smartphone users. As the features and power of Smartphone are increase, so that they have their vulnerability for attacks by Malwares. But the android is the operating system which is more secure than any other operating systems available for Smart phones. The Android operating system has very few restrictions for developers and it will increase the security risk for end users. I am proposing an android application which is able to perform dynamic analysis on android program. To perform this analysis,I have to deploy the android application, in this proposed system I am going to deploy android application on a local server. This application executes automatically without any human interaction. It automatically detects malware by using pattern matching algorithm. If malware get detected, then user get inform that particular application is malicious and restrict the user from installing application