This review provides critical insights into the biological activities and Structure–Activity Relationship (SAR) studies of tetrahydroisoquinoline (THIQ) analogs.
COVID-19 caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) primarily appeared in Wuhan, China, in December 2019. At present, no proper therapy and vaccinations are available for the disease, and it is increasing day by day with a high mortality rate. Pharmacophore based virtual screening of the selected natural product databases followed by Glide molecular docking and dynamics studies against SARS-CoV-2 main protease was investigated to identify potential ligands that may act as inhibitors. The molecules SN00293542 and SN00382835 revealed the highest docking score of 214.57 and 212.42 kcal/mol, respectively, when compared with the co-crystal ligands of PDB-6Y2F (O6K) and 6W63 (X77) of the SARS-CoV-2 M pro. To further validate the interactions of top scored molecules SN00293542 and SN00382835, molecular dynamics study of 100 ns was carried out. This indicated that the protein-ligand complex was stable throughout the simulation period, and minimal backbone fluctuations have ensued in the system. Post-MM-GBSA analysis of molecular dynamics data showed free binding energy-71.7004 1/2 7.98, 256.811/2 7.54 kcal/mol, respectively. The computational study identified several ligands that may act as potential inhibitors of SARS-CoV-2 M pro. The top-ranked molecules SN00293542, and SN00382835 occupied the active site of the target, the main protease like that of the co-crystal ligand. These molecules may emerge as a promising ligands against SARS-CoV-2 and thus needs further detailed investigations.
The industrialization of the world, increase in population, slow paced city development and mismanagement of the available parking space has resulted in parking related problems. There is a dire need for a secure, intelligent, efficient and reliable system which can be used for searching the unoccupied parking facility, guidance towards the parking facility, negotiation of the parking fee, along with the proper management of the parking facility. Intelligent Parking Service is a part of Intelligent Transportation Systems (ITS). This paper reviews different Intelligent Parking Services used for parking guidance, parking facility management and gives an insight into the economic analysis of such projects. The discussed systems will be able to reduce the problems which are arising due to unavailability of a reliable, efficient and modern parking system, while the economic analysis technique will help in analyzing the projects' feasibility.
A new
class of compounds formed by the linkage of −C(O)–NH–
with pyridine and thiazole moieties was designed, synthesized, and
characterized by various spectral approaches. The newly characterized
compounds were evaluated for their antimicrobial as well as anti-inflammatory
properties. The
in vitro
anti-inflammatory activity
of these compounds was evaluated by denaturation of the bovine serum
albumin method and showed inhibition in the range of IC
50
values—46.29–100.60 μg/mL. Among all the tested
compounds, compound
5l
has the highest IC
50
value and compound
5g
has the least IC
50
value. On the other hand, antimicrobial results revealed that compound
5j
showed the lowest MIC values and compound
5a
has the highest MIC values. Furthermore, molecular docking of the
active compounds demonstrated a better docking score and interacted
well with the target protein. Physicochemical parameters of the titled
compounds were found suitable in the reference range only. The
in silico
molecular docking study revealed their COX-inhibitory
action. Compound
5j
emerged as a significant bioactive
molecule among the synthesized analogues.
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