Singh P, Choudhary S, Kashyap A, Verma H, Kapil S, Kumar M, et al
. An exhaustive compilation on chemistry of triazolopyrimidine: A journey through decades. Bioorg Chem. 2019;88:102919 pubmed publisher
Kumar Singh P, Kashyap A, Silakari O. Exploration of the therapeutic aspects of Lck: A kinase target in inflammatory mediated pathological conditions. Biomed Pharmacother. 2018;108:1565-1571 pubmed publisher
..This article provides evidence and information establishing Lck as one of the therapeutic targets in various inflammation mediated pathophysiological conditions. ..
Kashyap A, Singh P, Silakari O. In silico designing of domain B selective gyrase inhibitors for effective treatment of resistant tuberculosis. Tuberculosis (Edinb). 2018;112:83-88 pubmed publisher
..tuberculosis H37Rv strain. Two compounds exhibited significant anti-TB activity, whereas other three compounds were found to be outliers of the in silico study. ..
Kapil S, Singh P, Silakari O. An update on small molecule strategies targeting leishmaniasis. Eur J Med Chem. 2018;157:339-367 pubmed publisher
..This review provides an overview of leishmaniasis along with the main emphasis on novel heterocycles reported for their anti-leishmanial activity in recent years. ..
Singh P, Silakari O. Molecular dynamics guided development of indole based dual inhibitors of EGFR (T790M) and c-MET. Bioorg Chem. 2018;79:163-170 pubmed publisher
..101 µM. Overall, this work is one of the earliest report of compounds having significant dual inhibitory potential against secondary acquired EGFR and cMET, with IC50 values in nanomolar range. ..
Chadha N, Bahia M, Kaur M, Silakari O. Thiazolidine-2,4-dione derivatives: programmed chemical weapons for key protein targets of various pathological conditions. Bioorg Med Chem. 2015;23:2953-74 pubmed publisher
..The structure based SAR of TZD derivatives for various protein targets would serve as a benchmark for the alteration of existing ligands to design new ones with better binding interactions. ..
Kaur G, Silakari O. Benzimidazole scaffold based hybrid molecules for various inflammatory targets: Synthesis and evaluation. Bioorg Chem. 2018;80:24-35 pubmed publisher
..Additionally, compound 3j showed gastrointestinal safety with reduced lipid peroxidation. Docking results of compound 3j with COX-2 and 5-LOX were also consistent with the in vivo anti-inflammatory results. ..
Choudhary S, Singh P, Verma H, Singh H, Silakari O. Success stories of natural product-based hybrid molecules for multi-factorial diseases. Eur J Med Chem. 2018;151:62-97 pubmed publisher
..This review strives to encompass all natural product-derived hybrid molecules which act as multi-targeting agents striking various targets involved in different pathways of complex diseased conditions reported in literature. ..
Chadha N, Silakari O. Active site fingerprinting and pharmacophore screening strategies for the identification of dual inhibitors of protein kinase C (Î¡ÎšCÎ²) and poly (ADP-ribose) polymerase-1 (PARP-1). Mol Divers. 2016;20:747-61 pubmed publisher
..Thus, novel hits have been predicted to have good binding affinities for [Formula: see text] and PARP-1 proteins, which could be further investigated for in vitro/in vivo activity. ..