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Molecular Docking, 3D QSAR and Designing of New Quinazolinone Analogues as DHFR Inhibitors
Yamini, L.,Kumari, K. Meena,Vijjulatha, M. Korean Chemical Society 2011 Bulletin of the Korean Chemical Society Vol.32 No.7
The three dimensional quantitative structure activity relationship (3D QSAR) models were developed using Comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA) and docking studies. The fit of Quinazolinone antifolates inside the active site of modeled bovine dihydrofolate reductase (DHFR) was assessed. Both ligand based (LB) and receptor based (RB) QSAR models were generated, these models showed good internal and external statistical reliability that is evident from the $q^2_{loo}$, $r^2_{ncv}$ and $r^2_{pred}$. The identified key features enabled us to design new Quinazolinone analogues as DHFR inhibitors. This study is a building bridge between docking studies of homology modeled bovine DHFR protein as well as ligand and target based 3D QSAR techniques of CoMFA and CoMSIA approaches.
Carbon dioxide absorption studies using amine-functionalized ionic liquids
Yamini Sudha Sistla,Ashok Khanna 한국공업화학회 2014 Journal of Industrial and Engineering Chemistry Vol.20 No.4
Several amine-functionalized cation ILs were successfully synthesized, characterized and tested for CO2 absorption studies. Non-functionalized ILs were studied for comparison purpose. The primary amine-ILs have shown higher CO2 solubilities both on molar basis (mol of CO2/mol of IL) and on volume basis (g of CO2/L of IL), compared to non-functionalized and tertiary-amine ILs. Besides amine-functionalization of the cation, anion of the IL has strong influence on CO2 solubility due to its contribution by physical absorption. As a result, the [TF2N]-anion amine-ILs have higher CO2 solubility than [BF4]-anion amine-ILs. Among non-amine functionalized ILs, [P(14)666][TF2N] has the highest CO2 solubility.
Image Encryption Schemes : A Complete Survey
Yamini Jain,Ritesh Bansal,Gaurav Sharma,Bhuvnesh Kumar,Shailender Gupta 보안공학연구지원센터 2016 International Journal of Signal Processing, Image Vol.9 No.7
Advancement in digital technologies has resulted in increased data transfer over internet in recent years. As a result, security of images/data is one of the biggest concern of many researchers. Therefore several cryptographic schemes have been proposed for image/data encryption. An efficient cryptographic scheme is one that have high brute force search time, low execution time complexity and should be able to provide good security. In this paper, several ciphers (traditional as well as modern) for images are compared based on various parameters such as: Time complexity, Peak Signal to Noise Ratio (PSNR), Number of Pixels Change Rate (NPCR), Unified Average Changing Intensity (UACI) and Entropy. In addition, the paper also shows the shortcomings of traditional ciphers that were used for text and how modern ciphers overcome this limitations. The analysis of simulation result shows that chaotic encryption schemes are most efficient and better than others.
Molecular Docking, 3D QSAR and Designing of New Quinazolinone Analogues as DHFR Inhibitors
L. Yamini,K. Meena Kumari,M. Vijjulatha 대한화학회 2011 Bulletin of the Korean Chemical Society Vol.32 No.7
The three dimensional quantitative structure activity relationship (3D QSAR) models were developed using Comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA)and docking studies. The fit of Quinazolinone antifolates inside the active site of modeled bovine dihydrofolate reductase (DHFR) was assessed. Both ligand based (LB) and receptor based (RB) QSAR models were generated, these models showed good internal and external statistical reliability that is evident from the q^2 _(loo),r^2 _(ncv) and r^2 _(pred). The identified key features enabled us to design new Quinazolinone analogues as DHFR inhibitors. This study is a building bridge between docking studies of homology modeled bovine DHFR protein as well as ligand and target based 3D QSAR techniques of CoMFA and CoMSIA approaches.
Asthana, Yamini,Hong, Lan-Young,Kim, Dong-Pyo,Lee, Taek Seung,Sung, Yun-Mo TaylorFrancis 2007 Molecular Crystals and Liquid Crystals Vol.463 No.1
<P> Formation of coatings with combined properties of being superhydrophilic/superhydrophobic are of immense applications in the field of optics. In our present work, we have developed a transparent, organic/inorganic hybrid coating by mixing appropriate ratios of organic silanol coupling agents and monoacrylates to impart strong adhesion to the substrate, and inorganic components comprising of a hybrid mixture of silica-titania, and certain vinyl components as well as hydrophilic surfactants for improved antifogging behavior. Polycarbonate lens or glass slides, as substrates were dip coated into the hybrid precursor solution at a suitable withdrawal rate of 5 cm/min to form uniform and crack free film of thickness 458 nm. The sequential process of drying of the coated films involved thermal curing at varied temperature and time in the presence of an appropriate thermal initiator, dicumyl peroxide. The surface chemistry and thermal behavior along with the superhydrophilicty and fogging behavior of the coated substrates were assessed by respective ATR-IR, 29Si NMR, TGA/DSC analysis and AFM measurements. The remarkabale observation was that the composite of organic-inorganic mixture exhibited desired properties of being superhydrophilic as well as antifogging on the substrate by curing at appropriate temperature of 50°C for 24 hr and 120°C for 8 hr, respectively.</P>
Somdipa Pal,Yamini Krishnan,Gazel Sainulabdin,Krishnan V. Parameswaran 대한소아혈액종양학회 2022 Clinical Pediatric Hematology-Oncology Vol.29 No.1
Acute lymphoblastic leukemia (ALL) is the most common malignancy of children. Gastrointestinal complications can occur during treatment of these children due to disease infiltration in gut or treatment-related toxicity. Intestinal obstruction is one of these complications and this occurs mostly due to constipation and impacted stool. Intussusception is a very rare entity in children with ALL. Left sided colo-colic intussusception is even rarer. Most of the intussusceptions are ileo-colic and are as-sociated with a lead point. We present a case of left sided colo-colic intussusception in an 8-year-old child with ALL. There was no lead point or leukemic infiltrate in the resected part of the intussusception. Our child had typhlitis leading to in-tussusception which is a very rare occurrence. Awareness regarding this complication with ALL is important for prompt diagnosis and treatment.