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.

In the current study, an efficient synthesis of new triazole‐linked chalcone 3 a‐g scaffold was performed by multistep reaction sequence and was screened for their antibacterial activity against Pseudomonas aeruginosa, Escherchia coli, Staphylococcus aureus and Bacillus subtilis. The preliminary result revealed that 3 f exhibited a promising antibacterial activity. Furthermore, 3 f was modified at α, β‐ unsaturated carbonyl segment to isoxazoline 4 a, pyrimidines 5 a, 6 a‐b, pyrazoles 7 a‐c and cyanopyridine 8 a. Within the modified compounds 7 b (4‐nitro‐substituted pyrazole) turn to be more potent against all bacterial strains. In addition compounds, 5 a and 8 a showed promising free radical scavenging activity.

A series of thiazoles 4 a-g and thiazole clubbed triazoles 5 a-f were synthesized and showed good antibacterial activity against, Pseudomonas aeruginosa, Escherchia coli, Staphylococcus aureus and Bacillus subtilis. Particularly, 4 a (methyl), 5 b (nitro) and 5 d (fluoro) derivatives demonstrated a broad range of activity over other derivatized compounds. In addition, Computational interaction, ADMET (absorption, distribution, metabolism, and excretion -toxicity in pharmacokinetics), Lipinski's rule and DNA binding studies of all the results stacked together indicated that 5 b can be further developed as lead molecule against bacterial pathogens.[a] R.

A series of oxadiazole ( 7a-l ) and hydroxypyrazoline derivatives ( 8a-l ) incorporating thiazole were synthesized and characterized by spectral analysis ( 1 H-NMR, 13 C-NMR, Mass, and FT-IR). The synthesized compounds were screened for their in vitro cytotoxicity against MDA-MB231 and HT-29 human cell lines. Conjugates 7d , 7e , 7f , 7i , 7l , 8a , 8b , 8i and 8l exhibited significant antiproliferative activity on both MDA-MB231 and HT-29 cell lines. Flow cytometric analysis reveals that, 7i arrests both cells lines at Go/G1 phase whereas 8i induced G0/G1 arrest only in the HT-29 cells. Furthermore, Computational interaction studies of 7i and 8i exhibited its capacity of being a plausible CDK2 and BCL-2 inhibitor respectively. In addition, DNA binding of the synthesized compounds and DNA docking of 7i and 8i demonstrated the ability to interact with DNA. Compounds 7i and 8i causes' remarkable growth inhibition of MDA-MB231 and HT-29 cells but compound 8i was considerably effective against HT-29 cells. Overall these compounds can be practiced for further drug development.

Dihydropyrimidinones (DHPMs), 4 a‐f and 6 a‐f is reported and were characterized by 1H‐NMR, 13C‐NMR, FT‐IR and LC–MS. The synthesized compounds were evaluated for their antibacterial activity against Staphylococcus aureus (S.aureus), Bacillus subtilis (B. subtilis), Salmonella typhi (S. typhi) and Pseudomonas aeruginosa (P. aeruginosa). Among the test samples compounds, 5‐(4‐hydroxy‐3‐methoxyphenyl)‐7‐imino‐1,3,5,6,8‐pentahydropyrimido[4,5‐d]pyrimidine‐2,4‐dione (6 c) and 5‐(4‐hydroxy‐3,5‐dimethoxyphenyl)‐1,3‐N,N‐dimethyl‐7‐thioxo‐5,6,8‐trihydropyrimido[4,5‐d]pyrimidine‐2,4‐dione (4 d) were more potent against S. aureus and B. subtilis. Whereas 5‐(4‐hydroxy‐3‐methoxyphenyl)‐1,3‐N,N‐dimethyl‐5,6,8‐trihydropyrimido[4,5‐d]pyrimidine‐2,4,7‐trione (6 e) and 5‐(4‐hydroxy‐3,5‐dimethoxyphenyl)‐1,3‐N,N‐dimethyl‐5,6,8‐trihydropyrimido[4,5‐d]pyrimidine‐2,4,7‐trione (4 e) showed good inhibition against S. typhi and P. aeruginosa which were well supported by computational interaction and DNA binding studies. Compound 5‐(4‐hydroxy‐3,5‐dimethoxyphenyl)‐7‐imino‐1,3,5,6,8‐pentahydropyrimido[4,5‐d]pyrimidine‐2,4,7‐trione (4 c) exhibited potent scavenging activity with IC50 of 8.30 mg/ml. Furthermore, Cyclic Voltammetric analysis disclosed that 5‐(4‐hydroxy‐3,5‐dimethoxyphenyl)‐7‐thioxo‐1,3,5,6,8‐pentahydropyrimido[4,5‐d]pyrimidine‐2,4‐dione (4 a), 5‐(4‐hydroxy‐3,5‐dimethoxyphenyl)‐1,3,5,6,8‐pentahydropyrimido[4,5‐d]pyrimidine‐2,4,7‐trione (4 b), 4 c, 6 d, 6 e, and 6 f showed redox behavior.

5-methyl-2-(pyridin-3-yl)-1,3-thiazole-4-carbohydrazide (1) on treatment with 4-fluorobenzaldehyde in presence of catalytic amount of acetic acid, accessed the target compound (2) with the yield of 79%. The target compound was confirmed by 1 H-NMR, 13 C-NMR, FT-IR and LCMS. In vitro antibacterial activity against Staphylococcus aureus (S. Aureus), Bacillus subtilis (B. subtilis), Escherichia coli (E. coli), and Pseudomonas aeruginosa (P. aeruginosa) were carried out and compound 2 showed promising activity against B. subtilis. In addition, compound 2 was analyzed for DNA binding study. It revealed that compound 2 has a promising affinity towards DNA double helix.