In Silico Modeling of Lovastatin Analogues as Inhibitors of HIV-1 Nef Protein
Currently, no method can completely eliminate the human immunodeficiency virus (HIV) in an infected person. HIV employs an accessory protein called Nef that forms a complex with cellular AP-1, preventing detection of HIV-infected cells. Lovastatin has been recently identified to inhibit the formation of said Nef-AP-1 complex, but its effective concentration is remarked to be far higher than other Nef inhibitors. This study aims to develop a modified lovastatin molecule exhibiting higher binding affinity to the HIV-1 Nef protein than lovastatin in silico. Modified lovastatin molecules based on the interaction map of lovastatin with Nef were modeled, and flexible ligand-flexible receptor docking to the Nef binding site was performed using AutoDock Vina. Residues within the Nef binding site identified by Liu et al. (2019) to be crucial (Glu-63, Val-66, Phe-68, Asp-108, Leu-112, Tyr-115) were set as flexible. Fragment-based drug design was utilized to append molecular fragments to lovastatin in order to maximize its interactions with said crucial residues. From the fragment-based approach, molecule F4 ((1S,3S)‐8‐{2‐[(2R,4R)‐4‐chloro‐6‐oxooxan‐2‐yl]ethyl}‐3‐(hydroxymethyl)‐7‐methyl‐1,2,3,4‐tetrahydronaphthalen‐1‐yl 4‐aminobenzoate) exhibited a binding affinity of -9.0 kcal/mole, and its estimated IC50 ranges between 0.25-0.51 μM which is at least 7.5 times lower than the reported IC50 of lovastatin from literature. This study presents insights on the key modifications to improve lovastatin as an HIV-1 Nef inhibitor and pertinent information about the Nef binding site for future drug development studies.
Bio-Circular-Green Superabsorber
As the world has become concerned about the global waste crisis and global warming, there has been a surge of research within materials science to find materials that would replace plastic, such as bioplastics or biodegradable materials, in order to reduce environmental pollution. Plastics generates the microplastics that allowed them to become cross contamination enter the ocean through land, sea and river. Science research found (Lusher et al. (2017)) over 220 species of marine animals ingested microplastic, half of them are considered relevant for commercial purpose and increasing the risk of human consumption as it can induce immune response, oxidative stress, cytotoxicity, alter membrane integrity and cause differential expression of genes. Thailand is also experiencing such a challenge, as seen by the overabundance of plastic waste that might take centuries to decompose. For example, around 1680 million personal hygiene products such as diapers, sanitary napkins, and tampons are used each year. This study highlights the use of naturally accessible absorbent fibers from malva nut (Scaphium scaphigerum) (G. Don) Guib & Planch.), which is widely available and biodegradable in nature and has a low carbon footprint. This study also aimed to develop natural absorbent pads using compostable spun, external layers, and biodegradable glue. A prototype sanitary napkin with biodegradable absorbent pads was developed and evaluated for absorption ability, absorption rate, pH, and biodegradability. The absorbent material absorbed up to 19 times its weight in 2 minutes and 33 times its weight in 2 hours, which is enough for an average of 80-150 mL of menstrual blood. The prototype napkin deteriorated within 99 days, based on naked eye observation. Some signs of degradation and microorganisms growing on the prototype were also observed from scanning electron microscopic images. According to the findings, natural absorbent pads made from malva nut have the potential to be converted into sanitary napkins. Furthermore, it is proposed that the components, which include superabsorbent renewable materials, spinning compostable layer, external compostable layer and biodegradable glue, may be used in a variety of goods, including adult diaper pants, incontinence pads, and laboratory bench mats.
Susanito, autonomous robot body temperature meter: support to reduce infections in rows
A variant of the coronavirus (2019-nCoV or COVID-19) was reported in Wuhan, China on December 31, 2019, spreading rapidly around the world. Owing to a plan to reactivate the economy, the Mexican government, requested to implement protective measures to enter establishments with confined spaces: wear a mask, provide alcohol-based hand rub and the measurement of body temperature, allowing problem when not have a fever; however, these measures cause long waiting lines, causing contagion risk. To support this problem, applied and experimental research was used, generating as a result, the creation of a robot that moves autonomously thanks to a line follower sensor. Dispenses alcohol-based hand rub and determines the temperature by means of an infrared sensor, checking that the distance is adequate, with an ultrasonic sensor, using a buzzer that emits a sound of half a second when it performs a normal detection, but, if it is equal to or greater os 38 ° C, emits a sound for 10 seconds asking the person to leave the line and go to a medical service, helping to reduce problems infections in lines