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.
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.
A.N.T.s: Algorithm for Navigating Traffic System in Automated Warehouses
According to CNN Indonesia 2020, the demand for e-Commerce in Indonesia has nearly doubled during this pandemic. This surge in demand calls for a time-efficient method for warehouse order-picking. One approach to achieve that goal is by incorporating automation in their warehouse systems. Globally, the market of warehouse robotics is expected to reach 12.6 billion USD by 2027 (Data Bridge Market Research, 2020). In this research, the warehouse system studied would utilize AMR (Autonomous Mobile Robots) to lift and deliver movable shelf units to the packing station where workers are at. This research designed a heuristic algorithm called A.N.T.s (Algorithm for Navigating Traffic System) to conduct task assigning and pathfinding for AMR in the automated warehouse. The warehouse layout was drawn as a two-dimensional map in grids. When an order is placed, A.N.T.s would assign the task to a robot that would require the least amount of time to reach the target shelf. A.N.T.s then conducted pathfinding heuristically using Manhattan Distance. A.N.T.s would help the robot to navigate its way to the target shelf unit, lift the shelf and bring it to the designated packing station. A.N.T.s algorithm was tested in various warehouse layouts and with a varying number of AMRs. Comparison against the commonly used Djikstra’s algorithm was also conducted (Shaikh and Dhale, 2013). Results show that the proposed A.N.T.s algorithm could execute 100 orders in a 27x23 layout with five robots 9.96 times faster than Dijkstra with no collisions. The algorithm is also shown to be able to help assign tasks to robots and help them find short paths to navigate their ways to the shelf units and packing stations. A.N.T.s could navigate traffic to avoid deadlocks and collisions in the warehouse with the aid of lanes and directions.