Thapar University

About: Thapar University is a education organization based out in Patiāla, Punjab, India. It is known for research contribution in the topics: Cloud computing & Fuzzy logic. The organization has 2944 authors who have published 8558 publications receiving 130392 citations.

1,8-Naphthalimide: A Potent DNA Intercalator and Target for Cancer Therapy.

Abstract: The poor pharmacokinetics, side effects and particularly the rapid emergence of drug resistance compromise the efficiency of clinically used anticancer drugs. Therefore, the discovery of novel and effective drugs is still an extremely primary mission. Naphthalimide family is one of the highly active anticancer drug based upon effective intercalator with DNA. In this article, we review the discovery and development of 1,8-naphthalimide moiety, and, especially, pay much attention to the structural modifications and structure activity relationships. The review demonstrates how modulation of the moiety affecting naphthalimide compound for DNA binding that is achieved to afford a profile of antitumor activity. The DNA binding of imide and ring substitution at naphthalimide, bisnaphthalimide, naphthalimide-metal complexes is achieved by molecular recognition through intercalation mode. Thus, this synthetic/natural small molecule can act as a drug when activation or inhibition of DNA function, is required to cure or control the cancer disease. The present study is a review of the advances in 1,8-naphthalimide-related research, with a focus on how such derivatives are intercalated into DNA for their anticancer activities.

Virtual screening and molecular dynamics study of approved drugs as inhibitors of spike protein S1 domain and ACE2 interaction in SARS-CoV-2.

Abstract: Background The receptor binding domain (RBD) of spike protein S1 domain SARS-CoV-2 plays a key role in the interaction with ACE2, which leads to subsequent S2 domain mediated membrane fusion and incorporation of viral RNA into host cells. In this study we tend to repurpose already approved drugs as inhibitors of the interaction between S1-RBD and the ACE2 receptor. Methods 2456 approved drugs were screened against the RBD of S1 protein of SARS-CoV-2 (target PDB ID: 6M17 ). As the interacting surface between S1-RBD and ACE2 comprises of bigger region, the interacting surface was divided into 3 sites on the basis of interactions (site 1, 2 and 3) and a total of 5 grids were generated (site 1, site 2, site 3, site 1+site 2 and site 2+site 3). A virtual screening was performed using GLIDE implementing HTVS, SP and XP screening. The top hits (on the basis of docking score) were further screened for MM-GBSA. All the top hits were further evaluated in molecular dynamics studies. Performance of the virtual screening protocol was evaluated using enrichment studies. Result and discussion: We performed 5 virtual screening against 5 grids generated. A total of 42 compounds were identified after virtual screening. These drugs were further assessed for their interaction dynamics in molecular dynamics simulation. On the basis of molecular dynamics studies, we come up with 10 molecules with favourable interaction profile, which also interacted with physiologically important residues (residues taking part in the interaction between S1-RBD and ACE2. These are antidiabetic (acarbose), vitamins (riboflavin and levomefolic acid), anti-platelet agents (cangrelor), aminoglycoside antibiotics (Kanamycin, amikacin) bronchodilator (fenoterol), immunomodulator (lamivudine), and anti-neoplastic agents (mitoxantrone and vidarabine). However, while considering the relative side chain fluctuations when compared to the S1-RBD: ACE2 complex riboflavin, fenoterol, cangrelor and vidarabine emerged out as molecules with prolonged relative stability. Conclusion We identified 4 already approved drugs (riboflavin, fenoterol, cangrelor and vidarabine) as possible agents for repurposing as inhibitors of S1:ACE2 interaction. In-vitro validation of these findings are necessary for identification of a safe and effective inhibitor of S1: ACE2 mediated entry of SARS-CoV-2 into the host cell.

Some new operations over the generalized intuitionistic fuzzy sets and their application to decision-making process

Abstract: Intuitionistic fuzzy sets is one of the successful extensions of the fuzzy set to deal with the data, where the information is vague, imprecise, or insufficient during the decision-making process. The objective of the manuscript is to present generalized intuitionistic fuzzy sets and their corresponding operations. For it, we first presented an idea of the generalized IFSs and their corresponding operational laws. Furthermore, some new arithmetic and geometric mean operations are defined to aggregate the different preferences of the decision makers during the process. Various relations related to these operations are investigated in detail. Finally, a decision-making approach has been presented under the GIFSs environment and illustrated with a numerical example.

Monitoring Corrosion in Oxide and Chloride Environments Using Ultrasonic Guided Waves

Abstract: Ultrasonic guided waves have been used for monitoring progression of rebar corrosion in concrete in chloride and oxide environments. The effect of rates of corrosion in the two environments on the ultrasonic signals is reported. Surface- and core-seeking guided wave modes were used to monitor beams undergoing accelerated impressed current corrosion in the presence (chloride corrosion) and absence of chlorides (oxide corrosion). Effective combination of guided wave modes could relate to the differences in corrosion mechanisms and rates in the two environments. Ultrasonic test results correlated well with that of the destructive tests.

Single image haze removal using integrated dark and bright channel prior

Abstract: In recent years, the dark channel prior (DCP) has been proven to be an adequate haze removal model. However, its procedure causes annoying halo and gradient reversal artifacts. To remove these issu...