Imidazoles are a category of azole antifungals that encompass compounds such as ketoconazole, miconazole, esomeprazole, and clotrimazole. In contrast, the triazoles group, which includes fluconazole, voriconazole, and itraconazole, also plays a significant role. The rise of antibiotic resistance in fungal pathogens has evolved into a substantial global public health concern. In this study, two newly synthesized imidazo[1,2-a]pyridine derivative (Probe I and Probe II) molecules were investigated for its antimicrobial potency against of a panel of bacterial (Gram-positive and Gram-negative bacteria) and fungal pathogens. Among the different types of pathogens, we found that Probe II showed excellent antifungal activity against fungal pathogens, based on the preliminary screening the potent molecule further investigated against multidrug-resistance Candida sp. (n = 10) and compared with commercial molecules. In addition, in-silico molecular docking, its dynamics, absorption, distribution, metabolism, excretion and toxicity (ADMET) were analyzed. In this study, the small molecule (Probe II) displayed potent activity only against the Candida spp. including several multidrug-resistant Candida spp. Probe II exhibited minimum inhibitory concentration ranges from 4 to 16 µg/mL and minimum fungicidal concentration in the range 4‒32 µg/mL as the lowest concentration enough to eliminate the Candida spp. The selected molecules inhibit the formation of yeast to mold as well as ergosterol formation by the computational simulation against Sterol 14-alpha demethylase (CYP51) and inhibition of ergosterol biosynthesis by in-vitro model show that the Probe II completely inhibits the formation of ergosterol in yeast cells at 2× MIC. The ADMET analysis Probe II could be moderately toxic to the human being, though the in-vitro toxicity studies will help to understand the real-time toxic level. The novel compound Probe II, which was synthesized during the study, shows promise for development into a new generation of drug treatments aimed at addressing the emerging drug resistance in Candida sp.

咪唑类药物是一类唑类抗真菌药，包括酮康唑、咪康唑、埃索美拉唑和克霉唑等化合物。相比之下，三唑类（包括氟康唑、伏立康​​唑和伊曲康唑）也发挥着重要作用。真菌病原体抗生素耐药性的上升已成为全球公共卫生的重大问题。在本研究中，研究了两种新合成的咪唑并[1,2-a]吡啶衍生物（探针 I 和探针 II）分子对一组细菌（革兰氏阳性菌和革兰氏阴性菌）和真菌病原体的抗菌效力。在不同类型的病原体中，我们发现Probe II对真菌病原体表现出优异的抗真菌活性，基于初步筛选的有效分子，进一步研究了针对多重耐药念珠菌的有效分子。 ( n  = 10) 并与商业分子进行比较。此外，还对计算机分子对接及其动力学、吸收、分布、代谢、排泄和毒性（ADMET）进行了分析。在这项研究中，小分子（探针 II）仅对念珠菌属表现出有效的活性。包括几种多重耐药念珠菌属。探针 II 的最低抑制浓度范围为 4 至 16 µg/mL，最低杀菌浓度范围为 4-32 µg/mL，作为足以消除念珠菌属的最低浓度。通过针对甾醇 14-α 脱甲基酶 (CYP51) 的计算模拟，所选分子抑制酵母霉菌的形成以及麦角甾醇的形成，并通过体外模型抑制麦角甾醇生物合成，表明探针 II 完全抑制酵母菌中麦角甾醇的形成。 2× MIC 的酵母细胞。 ADMET 分析探针 II 可能对人类具有中等毒性，但体外毒性研究将有助于了解实时毒性水平。研究期间合成的新型化合物 Probe II 显示出开发新一代药物治疗的前景，旨在解决念珠菌属中新出现的耐药性。