The Quantum Mechanics/Molecular Mechanics (QM/MM) hybrid approach combines the accuracy of quantum mechanics with the computational efficiency of molecular mechanics, making it a powerful tool in drug design. This review discusses the QM/MM methodology, which applies quantum mechanics to active sites in biomolecules while using molecular mechanics to model their surrounding environment. This method has proven effective for studying enzyme reactions, ligand-protein interactions, and other critical processes in drug discovery. Key components such as QM and MM region partitioning, link atom schemes, and boundary treatments are reviewed, alongside recent advancements like polarizable force fields, enhanced sampling techniques, and integration with machine learning. Real-world applications, including virtual screening, lead optimization, and biochemical mechanism analysis, illustrate QM/MM's impact on designing effective therapeutics. As QM/MM technology continues to advance, its role in accelerating and refining drug discovery is expected to grow, bringing new possibilities to the field.
Background: Glycated hemoglobin (HbA1c) is a key biomarker for long-term glycemic control. The studies have shown that patients having an understanding of HbA1c values in diabetic patients is associated with better glycemic control and self-care practices. This study aims to assess HbA1c test awareness among type 2 diabetes mellitus (T2DM) patients and examine its association with sociodemographic and lifestyle factors. Methods: This cross-sectional study was conducted among 230 type 2 diabetes mellitus patients using purposive sampling and the participants were recruited from outpatient and laboratory department of a hospital in Mangaluru, Karnataka, India. Awareness of HbA1c test was assessed using a structured questionnaire and analyzed in relation to demographic and lifestyle variables. Chi-square test were used for the analysis of data using statistical package for the social sciences (SPSS) software, and p<0.05 was considered statistically significant. Results: Out of 230 participants, 56.5% were male and 43.5% were aged 50–69 years. Only a minority of participants (16.1%) were aware of the HbA1c test. The HbA1c test awareness was not significantly associated with age, gender, education, employment, income, smoking, alcohol use, medication adherence, or diet adherence. Conclusions: Awareness of HbA1c test among T2DM patients was limited. Structured patient education and counseling programs focusing on HbA1c monitoring may empower patients to achieve better glycemic control and reduce the risk of diabetes-related complications.
Introduction: Pes planus, or flat feet, is characterised by the loss of the medial longitudinal arch, impacting foot biomechanics and increasing injury risk. Causes include obesity, tendon abnormalities, and ligament laxity. Obese children and adults are more prone to pes planus, with prevalence correlating with higher BMI. This study specifically assessed flexible flat foot, which is characterised by a collapsed medial arch during weight-bearing but a visible arch in non-weight-bearing positions. The Denis Grading System was used to classify the severity of pes planus among participants. Aims: To estimate the prevalence of flat feet in Paramedical students, compare the prevalence of flat foot among males and females and determine the relationship between flat foot and Body Mass Index (BMI). Methods: The study conducted at Krupanidhi College of Physiotherapy included 300 paramedical students aged 18-24. The study considered limbs individually for analysis, and so, effectively, the study used 600 limbs for statistical analysis. Footprints were manually taken using ink and A4 paper. Flat foot classification was conducted using the Denis Grading System, which categorises flat foot into four grades based on the degree of medial arch collapse, such as Grade 0, Grade 1, Grade 2, and Grade 3. The Denis grading system categorised flat feet, and statistical analysis, including Chi-square, was performed using SPSS 27. Ethical approval was obtained, and participants with congenital abnormalities or unwillingness were excluded. Conclusion: The study has concluded that flat foot is significantly associated with increasing obesity. Major Finding: The study showed a significant association between BMI and pes planus severity (p=0.001). Grade 0 (normal arch) was prevalent in underweight (89.2%) and normal-weight individuals (76.1%), while severe grades, like Grade 3, were higher in obese (30%) and overweight groups (16.4%). Grade 1 was common in both obese (25%) and overweight (23%) individuals. These findings suggest that higher BMI is strongly linked to increased pes planus severity.
Background: Effective communication between physiotherapists and patients is a key factor influencing treatment success, patient satisfaction, and overall quality of care. However, various barriers often hinder this interaction, especially among physiotherapy interns who are still developing their professional communication skills. Method: An observational study was conducted among 94 physiotherapy interns and 94 patients from the Pune region over a period of six months. Participants were selected using convenience sampling and assessed through a self-made questionnaire. The data were analysed using Microsoft Excel 2019, focusing on determinants such as language, culture, personality, compliance, gender, and age. Results: The results showed that communication is shaped more by personal and behavioural factors than by language or culture. Physiotherapy interns felt that patient personality (mean score = 2.88) and compliance (mean score = 2.84) were the main barriers, while patients found gender differences (mean score = 2.81) to be more challenging. Conclusion: This study highlights that communication goes beyond just words; it depends on understanding, empathy, and mutual respect. By improving communication skills, building emotional awareness, and encouraging open dialogue, physiotherapy interns can create a more trusting and supportive environment for patients. This can lead to smoother rehabilitation, better satisfaction, and stronger therapeutic relationships.
