Surface To Surface Map Algorithm For Protein - Small Molecule Matching

Current methods for protein analysis are based on either sequence similarity or comparison of overall tertiary structure. These conserved primary sequences or 3-dimensional structures may imply similar functional characteristics. However, substrate or ligand binding sites usually reside on or near protein surface, so, similarly shaped surface regions could imply similar functions. Our current work includes development of an algorithm that would allow surface matching over specific regions on related proteins with an output equal to the match percentage between two proteins. Initial results indicate that we can successfully match a family of related active sites, and find their similarly shaped surface regions. This method of surface analysis could be extended to help us understand functional surface relationship between the proteins within which there is no relationship in sequence or overall structure

Evaluate use of over the counter drugs among medical students in a tertiary care teaching hospital

Background: In our country there is easy availability of drugs over the counter leading to their unintentional misuse and abuse. Over the counter availability of drugs does offer the benefit of easy access to medicines and allows individuals to become in charge of their own health. It is important to understand that medical education can impact the OTC drug use amongst medical students. In order to observe the pattern of OTC drug use among the first and second professional MBBS students we planned this study. The aim of the study was to evaluate use of over the counter (OTC) drugs among medical students in a tertiary care teaching hospital.Methods: Our study was a cross sectional study conducted on first and second professional MBBS students. Authors administered a self structured, prevalidated questionnaire to the students. The data obtained was tabulated, analyzed and the results calculated in percentages.Results: The use of OTC drugs is common amongst undergraduate students.  All (100%) the students who participated in the study had used OTC drugs at some point in their life. The common conditions prompting use of OTC drugs include head ache, body aches (74%), fever (72%), respiratory conditions such as: cold (60%), cough (28.5%), abdominal symptoms such as: abdominal pain (14%), gastritis (7.5%), diarrhea (6%), vomiting (5%) and allergies (10%). Very few students reported adverse drug reactions with these drugs.Conclusions: From our study we have concluded that OTC drugs are commonly used amongst medical students. So, periodic training and talks on self medication are necessary for them. Student knowledge in this aspect will help them in future counseling of their patients

To study prescription behavior of physician in regard to brand and generic name

Background: Drugs are the chemical substances used for diagnosis, prevention and treatment of a disease. They are prescribed either by using generic name or brand name. The objective of this study was study the preference of registered medical practitioners towards prescribing of drugs by generic name or brand name and to know the reasons for the same.Methods: The questionnaire based observational study was done on 300 registered medical practitioners after satisfying inclusion and exclusion criteria. The data collected was evaluated and the response recorded in percentage.Results: Out of 300 practitioners 92% admitted prescribing drug by brand name for fear of substitution by substandard product and did not allow pharmacist to substitute the same, rest 8% prescribe by generic names. 78% considered generic drugs to be less efficacious and 3% had the view that they have more side effects. 83% doctors consider patient affordability while prescribing however only 60% of them informed patients about the cost of prescribed drugs. Other factors influencing prescription behaviour were health care administration policy (10%) and company representative (7%).Conclusions: Majority of physicians prescribe drugs by brand names due to its assured efficacy and they are reluctant to prescribe generic names because of their view of substitution by less efficacious, substandard and counterfeit products. The regulating agencies have to assure the efficacy of generic products. The spurious and substandard drugs available in the market have to be checked and strict action should be taken in order to maintain the quality of these products. This will boost the confidence of the physicians in prescribing the generic drugs resulting in decreased health care cost

A rare case of paraneoplastic neurological syndrome with ovarian teratoma

Paraneoplastic neurological syndrome (PNS) is a neuropathological disorder of central nervous system, in this the patient presents with a tumor anywhere in the body with diverse neuropsychiatric symptoms. The clinical manifestation of the tumor may be preceded by PNS. We are reporting a case of a 23-year-old married nulliparous female who came to the gynaecology outpatient department (OPD) with the history of mass per abdomen for the past four months and also undergoing treatment for acute psychosis, memory loss and cognitive impairment for the past five months. Her symptoms were not relieved on treatment. After clinical, laboratory and radiological evaluation possibility of paraneoplastic neurological syndrome associated with ovarian teratoma was made. Patient was taken up for staging laparotomy with U/L salpingoophrectomy. After surgical treatment her psychiatric symptoms rapidly improved and her psychiatric medications doses was reduced. PNS should be suspected in female patients presenting with an acute history of neuropsychiatric symptoms. Tumor resection should be performed at the earliest to improve patient outcomes

Correlation of lipid profile of infertile men with abnormal semen parameters

Background: Male’s inability to impregnate a fertile female is referred as male factor infertility. It accounts for 40-50% of infertile couples and affects almost 7% of all men. Male comorbidities and conditions, which negatively affect men’s health, have been repeatedly associated with impaired reproductive functioning. Cholesterol is the main substrate for steroid synthesis and it plays crucial role in formation of sperm plasma membrane and thus in spermatogenesis, highlighting the role of serum lipids in male fecundity. Purpose of the study is to evaluate correlation lipid profile of male partners with abnormal semen parameters in infertile couples. Methods: A cross sectional study was carried out in the infertility clinic of a tertiary care hospital for over 18 months and 151 infertile men with abnormal semen parameters (as per WHO 2010 criteria) were enrolled. Evaluation of lipid profile was done and its relationship with abnormal semen parameters was analyzed. Results: Significant positive correlation was seen between LDL and Triglyceride with sperm concentration and total sperm count. However, significant negative correlation was seen between Triglyceride and sperm motility and TMSC. Total and progressive motility was found to be significantly associated with total cholesterol (p<0.05). Infertile men having higher total cholesterol were found to have better total and progressive motility compared to men with less total cholesterol. Conclusions: Our findings demonstrated that lipid profile has significant correlation with semen parameters, specifically sperm concentration, count and motility

Age and gender based prevalence of obesity in residents of Punjab, India

Background: Obesity is recognized as a chronic disease, associated with a variety of metabolic, cardiovascular and neurological complications. Prevalence of obesity is increasing worldwide, more so in the developing countries. It is affecting both sexes and all age groups. Body mass index BMI along with presence and severity of obesity associated complications are used to identify, successively increasing stages of obesity. The present study aims to study prevalence of overweight, obesity (stage 0,1,2) and morbid obesity in adult residents of Punjab state in an effort to determine burden of this lifestyle disorder in different age groups and sexes, so that a comprehensive action plan can be designed to target appropriate group with specific preventive measures .Methods: 1000 subjects were surveyed and labelled as non-obese, overweight, obese or morbid obese based on their BMI, presence and severity of obesity related complications. Point prevalence amongst different age groups of both sexes were determined and compared.Results: In study population 41.5% subjects were non-obese, 15.9% were overweight, 29.4% were obese and 13.2% were morbidly obese. The prevalence of all the 3 conditions (overweight, obesity and morbid obesity) increased with increasing age in both sexes. The prevalence was more among females of all age groups than males for ‘overweight’ and ‘obesity’. But gender based difference narrowed down with increasing severity of disease, such that female to male ratio reversed (<1) for morbid obesity. Moreover, peak prevalence of overweight and obesity were attained little later in females as compared to males. However, for morbid obesity peak prevalence is seen in same age group (40-49 years) in both sexes.Conclusions: Overweight and obesity are more prevalent among females of all age groups than males with peak prevalence achieved little later in females as compared to males. However, gender based differences in prevalence decreased as severity increased and morbid obesity was more prevalent among males than females

Carbohydrate scaffolds as glycosyltransferase inhibitors with in vivo antibacterial activity

The rapid rise of multi-drug-resistant bacteria is a global healthcare crisis, and new antibiotics are urgently required, especially those with modes of action that have low-resistance potential. One promising lead is the liposaccharide antibiotic moenomycin that inhibits bacterial glycosyltransferases, which are essential for peptidoglycan polymerization, while displaying a low rate of resistance. Unfortunately, the lipophilicity of moenomycin leads to unfavourable pharmacokinetic properties that render it unsuitable for systemic administration. In this study, we show that using moenomycin and other glycosyltransferase inhibitors as templates, we were able to synthesize compound libraries based on novel pyranose scaffold chemistry, with moenomycin-like activity, but with improved drug-like properties. The novel compounds exhibit in vitro inhibition comparable to moenomycin, with low toxicity and good efficacy in several in vivo models of infection. This approach based on non-planar carbohydrate scaffolds provides a new opportunity to develop new antibiotics with low propensity for resistance induction

Synthesis and optical properties of pi-conjugated chromophores based on naphthalene scaffold

by Megha Bajaj, Beena Kumari and Sriram Kanva

Laulimalide Induces Dose-Dependent Modulation of Microtubule Behaviour in the <i>C. elegans</i> Embryo

<div><p>Laulimalide is a microtubule-binding drug that was originally isolated from marine sponges. High concentrations of laulimalide stabilize microtubules and inhibit cell division similarly to paclitaxel; however, there are important differences with respect to the nature of the specific cellular defects between these two drugs and their binding sites on the microtubule. In this study, we used <i>Caenorhabditis elegans</i> embryos to investigate the acute effects of laulimalide on microtubules <i>in vivo</i>, with a direct comparison to paclitaxel. We observed surprising dose-dependent effects for laulimalide, whereby microtubules were stabilized at concentrations above 100 nM, but destabilized at concentrations between 50 and 100 nM. Despite this behaviour at low concentrations, laulimalide acted synergistically with paclitaxel to stabilize microtubules when both drugs were used at sub-effective concentrations, consistent with observations of synergistic interactions between these two drugs in other systems. Our results indicate that laulimalide induces a concentration-dependent, biphasic change in microtubule polymer dynamics in the <i>C. elegans</i> embryo.</p> </div

Drug tests on permeabilized embryos.

<p>Confocal images of embryos expressing GFP-tubulin and mCherry-histone are shown. The posterior of the embryos are to the right. The control embryo treated with 5% DMSO divided normally. The white arrowhead points to the microtubule fibres, which were observed in all embryos before drug addition. Embryos treated with nocodazole and paclitaxel did not divide and microtubule fibres were seen in the time frame before drug addition indicated by white arrowheads. In nocodazole-treated embryo, fluorescence was visible only at the centrosomes (white arrows) and the centrosomes gradually drifted towards each other. In paclitaxel treated embryos, white arrows indicate tubulin aggregates in the cytoplasm.</p