ABSTRACT
COVID-19 has resulted in epidemi conditions over the world. Despite efforts by scientists from all over the world to develop an effective va ine against this virus, there is presently no recognized cure for COVID-19. The most succeed treatments for various ailments come from natural components found in medicinal plants, which are also rucial for the development of new medications. This study intends to understand the role of the baimantuoluoamide A and baimantuoluoamide B molecules in the treatment of Covid19. Initially, density functional theory (DFT) used to explore their electronic potentials along with the Becke3-Lee-Yang-Parr (B3LYP) 6-311 + G(d, p) basis set. A number of characteristics, including the energy gap, hardness, local softness, electronegativity, and electrophilicity, have also been calculated to discuss the reactivity of mole ules. Using natural bond orbital, the title compound's bioactive nature and stability were investigated. Further, both compounds potential inhibitors with main protease (Mpro) proteins, molecular dynamics simulations and AlteQ investigations also studied. Supplementary Information: The online version contains supplementary material available at 10.1134/S0021364023600039.
ABSTRACT
INTRODUCTION: The use of implant in anterior cruciate ligament (ACL) reconstruction has been associated with several drawbacks including graft injury, implant osteolysis, implant migration and soft tissue irritation. Implant-free ACL reconstruction surgery offers additional benefits of cost-effective, improved graft incorporation and ease of revision surgery. Our study aimed to compare the functional outcome of ACL reconstruction by using bone-patellar tendon autograft with press-fit fixation technique and hamstring autografts with implant. METHODS: A prospective cohort study design was used. Between March 2013 and March 2014, 12 patients underwent patella tendon-bone graft fixated by press-fit fixation technique (implant-free), while 24 patients underwent ACL reconstruction using implant-fixated hamstring tendon graft. Objective functional outcome was measured by using rolimeter, and subjective functional outcome was measured according to the functional score of IKDC, Tegner-Lysholm and KOOS. RESULTS: Both techniques have shown no significant difference in terms of functional outcome, whether assessed by rolimeter measurement, IKDC score, Tegner-Lysholm, KOOS score between implant group and implant-free group, preoperatively and postoperatively. DISCUSSION: Our study results are in line with several other studies with various follow-up time and systematic review. With the right technique, graft harvesting of patella tendon-tibial tuberosity bone block can be successfully performed, and associated donor site morbidity can be avoided. CONCLUSION: Patients who underwent ACL reconstruction using implant-free technique by press-fit fixation had comparable outcome with ACL reconstruction with implant, objectively and subjectively. This technique should be further revisited and reevaluated.
ABSTRACT
Acute acromioclavicular (AC) joint injuries are common and often occur in a contact sport activity. Most acute AC joint injuries surgery techniques focus on coracoclavicular (CC) ligament complex fixation; by single or double clavicle tunnel, but persisting vertical instability. In this paper, we introduce mini open triple tunnel- double flip button (TTDB) technique for acute AC joint dislocation by adding tunnel on clavicle to expand coverage of footprint of conoid and trapezoid ligament in order to improve vertical stability of the AC joint. This method is based on CC ligament augmentation with a double flip button/polydioxanone (PDS), combined with V-loop pulley suture for anatomical fixation. This is a prospective case report. Two professional, male basketball players in this study with a mean age of 25 years underwent surgery in 2019. Clinical subjective outcome, VAS score, Nottingham Clavicle Score, and radiological CC distance were measured before and after the operation. There were noticeable improvement in the patients' recovery after two years since the operation. We introduce TTDB technique as one of the open techniques for acute AC joint injuries in limited-resource hospital setting.
ABSTRACT
Isoniazid (INH) is a drug for the treatment of tuberculosis in patients infected with Mycobacterium tuberculosis. The katG enzyme, or catalase-peroxidase, activates the pro-drug INH that is coded by the katG gene in M. tuberculosis. Mutations of the katG gene in M. tuberculosis are a major INH resistance mechanism. The M. tuberculosis clinical isolate R2 showed INH resistance at a high level of 10 µg/mL. However, the molecular basis for the resistance is unclear. The identification of a mutation in the katG gene of the clinical isolate R2 showed four mutations, i.e., C1061T, G1261 A, G1388T, G2161A, which correspond to the amino acid substitutions T354I, G421S, R463L, and V721M, respectively. The mutant katG gene, along with the wild-type were cloned, expressed and purified. The mutant enzyme showed 86.5% of catalase and 45% of peroxidase activities in comparison to the wild type. The substitutions of T354I and G421S in mutant katG R2 created significant instability in the adduct triad complex (Trp107-Tyr229-Met255), a part of the active site of the catalase-peroxidase enzyme in the model structure analysis. The events could be based on the high resistance of the clinical isolate R2 toward INH as the molecular basis.
