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1.
J Biomol Struct Dyn ; : 1-17, 2024 Jan 04.
Article in English | MEDLINE | ID: mdl-38174407

ABSTRACT

A series of 1, 2, 4, 5-tetrasubstituted imidazole derivatives were synthesized and their antibiofilm potential against Candida albicans was evaluated in vitro. Two of the synthesized derivatives 5e (IC50 = 25 µg/mL) and 5m (IC50 = 6 µg/mL),displayed better antifungal and antibiofilm potential than the standard drug Fluconazole (IC50 = 40 µg/mL) against C. albicans. Based on the in vitro results, we escalated the real time polymerase chain reaction (RT-PCR) analysis to gain knowledge of the enzymes expressed in the generation and maintenance of biofilms and the mechanism of biofilm inhibition by the synthesized analogues. We then investigated the possible interactions of the synthesized compounds in inhibiting agglutinin-like proteins, namely Als3, Als4 and Als6 were prominently down-regulated using in-silico molecular docking analysis against the previously available crystal structure of Als3 and constructed structure of Als4 and Als6 using the SWISS-MODEL server. The stability and energy of the agglutinin-like proteins-ligand complexes were evaluated using molecular dynamics simulations (MDS). According to the 100 ns MDS, all the compounds remained stable, formed a maximum of 3, and on average 2 hydrogen bonds, and Gibb's free energy landscape analysis suggested greater affinity of the compounds 5e and 5m toward Als4 protein.Communicated by Ramaswamy H. Sarma.

2.
Curr Pharm Des ; 27(21): 2454-2467, 2021.
Article in English | MEDLINE | ID: mdl-33059562

ABSTRACT

Carbon Nanotubes (CNT) are the allotropes of carbon in nanosize dimension and are popular in medicinal field. These nano-based technologies are gaining high interest in the recent years for the treatment of diseases that are previously considered to be impossible to cure. CNTs have gained significance in the treatment of the majority of disorders such as Malaria, Alzheimer's disease, Infectious disease, and Asthma. Moreover, patient's responsiveness also increased in cardiovascular and pulmonary diseases. To date, a number of reviews are available in the literature covering applications of CNT in cancer. However, the purpose of this review is to focus on the use of CNTs in drug delivery of non-cancerous diseases. The novelty of this review is that it is focused on the applicability of CNT in the various non-cancerous diseases. Detailed information was collected from the literature which will guide and encourage researchers to explore the applicability of CNT in various non-cancerous diseases in the future.


Subject(s)
Communicable Diseases , Nanotubes, Carbon , Neoplasms , Pharmaceutical Preparations , Drug Delivery Systems , Humans , Neoplasms/drug therapy
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