In silico screening of potential plant peptides against the non-structural proteins of dengue virus.

BACKGROUND OBJECTIVES: Peptides isolated from different sources of plants have the advantages of specificity, lower toxicity, and increased therapeutic effects; hence, it is necessary to search for newer antivirals from plant sources for the treatment of dengue viral infections. METHODS: In silico screening of selected plant peptides against the non-structural protein 1, NS3 protease domain (NS2B-NS3Pro) with the cofactor and ATPase/helicase domain (NS3 helicase domain/NS3hel) of dengue virus was performed. The physicochemical characteristics of the peptides were calculated using Protparam tools, and the allergenicity and toxicity profiles were assessed using allergenFP and ToxinPred, respectively. RESULTS: Among the tested compounds, Ginkbilobin demonstrated higher binding energy against three tested nonstructural protein targets. Kalata B8 demonstrated maximum binding energy against NSP-1 and NSP-2, whereas Circulin A acted against the NSP3 protein of dengue virus. INTERPRETATION CONCLUSION: The three compounds identified by in silico screening can be tested in vitro, which could act as potential leads as they are involved in hampering the replication of the dengue virus by interacting with the three prime non-structural proteins.

Effect of posterior condylar offset in post operative range of motion in cruciate retaining and sacrificing TKR: A comparative analysis.

BACKGROUND: Restoration of posterior condylar offset (PCO) during TKA is believed to be an important to improve knee kinematics, maximizing range of motion (ROM) and minimizing flexion instability. The aim of prospective study was to find out the role of PCO in post-operative ROM after cruciate retaining (CR) and cruciate sacrificing (CS) TKA. METHODS AND MATERIALS: A total of 90 patients were divided into the CR knee group (49) and CS knee Group (41) intra-operatively by the surgeon based on the status of Posterior Cruciate Ligament. Preoperative and postoperative PCO was evaluated on true lateral knee radiographs. The ROM was measured pre operatively and post operatively at 4 weeks, 8 weeks, 3 months, 1 year and 2 years. Appropriate statistical tests were used and results were interpreted. RESULTS: The mean flexion angle was 113.86° in CR knees and 118.29° in CS knees with a significantly greater improvement observed for the latter group. Preoperative mean PCO was 35.08 mm in CR knees and 36.37 mm in CS knees, while the corresponding values post operatively were 32.74 mm and 34.88 mm respectively, at follow-up. In order to evaluate the relationship between change of PCO and postoperative improvement in range of flexion, we divided the patients into three sub groups according to the difference in pre and post-operative PCO. The first sub group had a difference in PCO ≤ 1 mm after surgery (CR: 5 and CS: 8), second sub group with a difference in PCO 1-3 mm after surgery (CR: 28 and CS: 26) and the third subgroup with a difference in PCO >3 mm after surgery (CR: 16 and CS: 7). Then a comparison of difference in PCO and post-operative range of motion was done in both CR knees and CS knees separately. The final post-operative range of motion (flexion) in CR knees was 117.6°, 115.93° and 109.06° for the three subgroups respectively. Similarly, the final post-operative range of motion (flexion) in CS knees was 116.12°, 118.81° and 118.86° for the three subgroups respectively. Thus a significant difference between three sub groups was observed in CR knees (P < 0.0001), while no difference was observed in the PS knees. CONCLUSION: The postoperative decrease in posterior condylar offset by more than 3 mm decreases the post-operative ROM in CR TKA but not in CS TKA. So it is critical to preserve PCO in CR but perhaps not CS knees to ensure optimal ROM postoperatively.